Isocoumarins and derivatives

1H-2-Benzopyran-1-one

Grade & Purity:

≥97%

Cas Number: 491-31-6 Compound CID: 68108

Formula: C₉H₆O₂ Molecular Weight: 146.14

IUPAC Name: isochromen-1-one

SMILES: C1=CC=C2C(=C1)C=COC2=O

InChIKey: IQZZFVDIZRWADY-UHFFFAOYSA-N

InChI: InChI=1S/C9H6O2/c10-9-8-4-2-1-3-7(8)5-6-11-9/h1-6H

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Brevifolincarboxylic acid

Grade & Purity:

≥99%

Cas Number: 18490-95-4 Compound CID: 9838995

Formula: C₁₃H₈O₈ Molecular Weight: 292.20

IUPAC Name: 7,8,9-trihydroxy-3,5-dioxo-1,2-dihydrocyclopenta[c]isochromene-1-carboxylic acid

SMILES: C1C(C2=C(C1=O)OC(=O)C3=CC(=C(C(=C32)O)O)O)C(=O)O

InChIKey: JFJWMFPFMLRLMI-UHFFFAOYSA-N

InChI: InChI=1S/C13H8O8/c14-5-2-4-7(10(17)9(5)16)8-3(12(18)19)1-6(15)11(8)21-13(4)20/h2-3,14,16-17H,1H2,(H,18,19)

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6,8-Dihydroxy-3-methylisocoumarin

Grade & Purity:

≥95%(LC/MS-UV)

Cas Number: 1204-37-1

Formula: C₁₀H₈O₄ Molecular Weight: 192.17

IUPAC Name: 6,8-dihydroxy-3-methylisochromen-1-one

SMILES: CC1=CC2=CC(=CC(=C2C(=O)O1)O)O

InChIKey: OHHKDUWFPNAEHQ-UHFFFAOYSA-N

InChI: InChI=1S/C10H8O4/c1-5-2-6-3-7(11)4-8(12)9(6)10(13)14-5/h2-4,11-12H,1H3

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JCP174

Grade & Purity:

≥98%

Cas Number: 126062-19-9

Formula: C₁₂H₁₂ClNO₃ Molecular Weight: 253.68

IUPAC Name: 7-amino-4-chloro-3-propoxyisochromen-1-one

SMILES: CCCOC1=C(C2=C(C=C(C=C2)N)C(=O)O1)Cl

InChIKey: MDOWUFTZOHGGHU-UHFFFAOYSA-N

InChI: InChI=1S/C12H12ClNO3/c1-2-5-16-12-10(13)8-4-3-7(14)6-9(8)11(15)17-12/h3-4,6H,2,5,14H2,1H3

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Galloflavin

Grade & Purity:

2mM in DMSO

Cas Number: 568-80-9

Formula: C₁₂H₆O₈ Molecular Weight: 278.17

IUPAC Name: 2,3,9,10-tetrahydroxypyrano[3,2-c]isochromene-6,8-dione

SMILES: C1=C2C(=C3C(=CC(=C(O3)O)O)OC2=O)C(=C(C1=O)O)O

InChIKey: UXHISTVMLJLECY-UHFFFAOYSA-N

InChI: InChI=1S/C12H6O8/c13-4-1-3-7(9(16)8(4)15)10-6(19-11(3)17)2-5(14)12(18)20-10/h1-2,14-16,18H

Synonyms: MLS000737267 | 6,8,9,10-tetrahydroxypyrano[3,2-c]isochromene-2,3-dione | FD10492 | DTXSID80205354 | 3,8,9,10-tetrahyd...

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3,4 Dichloroisocoumarin

Grade & Purity:

≥98%

Cas Number: 51050-59-0

Formula: C₉H₄Cl₂O₂ Molecular Weight: 215.03

IUPAC Name: 3,4-dichloroisochromen-1-one

SMILES: C1=CC=C2C(=C1)C(=C(OC2=O)Cl)Cl

InChIKey: SUGXUUGGLDCZKB-UHFFFAOYSA-N

InChI: InChI=1S/C9H4Cl2O2/c10-7-5-3-1-2-4-6(5)9(12)13-8(7)11/h1-4H

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2-Bromonaphthalene-1,4,5,8-tetracarboxylic 1,8:4,5-Dianhydride

Grade & Purity:

≥96%

Cas Number: 846-20-8

Formula: C₁₄H₃BrO₆ Molecular Weight: 347.08

IUPAC Name: 2-bromo-6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone

SMILES: C1=CC2=C3C4=C1C(=O)OC(=O)C4=CC(=C3C(=O)OC2=O)Br

InChIKey: MLQKQYZNRQBIKB-UHFFFAOYSA-N

InChI: InChI=1S/C14H3BrO6/c15-7-3-6-8-4(11(16)20-13(6)18)1-2-5-9(8)10(7)14(19)21-12(5)17/h1-3H

Synonyms: B5756 | MFCD00632359 | 2-Bromonaphthalene-1,4,5,8-tetracarboxylic 1,8:4,5-Dianhydride | 2-bromo-6,13-dioxatetracyclo[...

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1,4,5,8-Naphthalenetetracarboxylic dianhydride

Grade & Purity:

≥96%

Cas Number: 81-30-1 EC Number: 201-342-5

Formula: C₁₄H₄O₆ Molecular Weight: 268.18

IUPAC Name: 6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone

SMILES: C1=CC2=C3C(=CC=C4C3=C1C(=O)OC4=O)C(=O)OC2=O

InChIKey: YTVNOVQHSGMMOV-UHFFFAOYSA-N

InChI: InChI=1S/C14H4O6/c15-11-5-1-2-6-10-8(14(18)20-12(6)16)4-3-7(9(5)10)13(17)19-11/h1-4H

Synonyms: NTCDA | AKOS003614689 | 1,8:4, 5-Naphthalenetetracarboxylic dianhydride | Isochromeno[6,5,4-def]isochromene-1,3,6,8-t...

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2,6-Dibromonaphthalene-1,4,5,8-tetracarboxylic Dianhydride

Grade & Purity:

≥95%(HPLC)

Cas Number: 83204-68-6

Formula: C₁₄H₂Br₂O₆ Molecular Weight: 425.97

IUPAC Name: 2,9-dibromo-6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone

SMILES: C1=C2C3=C4C(=CC(=C3C(=O)OC2=O)Br)C(=O)OC(=O)C4=C1Br

InChIKey: FEDCHNPLDKDTNS-UHFFFAOYSA-N

InChI: InChI=1S/C14H2Br2O6/c15-5-1-3-7-8-4(12(18)22-13(19)9(5)8)2-6(16)10(7)14(20)21-11(3)17/h1-2H

Synonyms: MFCD00406909 | 2,9-dibromo-6,13-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8,10,15-pentaene-5,7,12,14-tetrone | ...

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JLK 6

Grade & Purity:

Moligand™

≥99%(HPLC)

Cas Number: 62252-26-0

Formula: C₁₀H₈ClNO₃ Molecular Weight: 225.63

IUPAC Name: 7-amino-4-chloro-3-methoxyisochromen-1-one

SMILES: COC1=C(C2=C(C=C(C=C2)N)C(=O)O1)Cl

InChIKey: AMDGKLWVCUXONP-UHFFFAOYSA-N

InChI: InChI=1S/C10H8ClNO3/c1-14-10-8(11)6-3-2-5(12)4-7(6)9(13)15-10/h2-4H,12H2,1H3

Synonyms: 7-Amino-4-chloro-3-methoxy-1H-2-benzopyran | 7-Amino-4-chloro-3-methoxyisocoumarin

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Galloflavin

Grade & Purity:

Moligand™

≥95%(HPLC)

Cas Number: 568-80-9

Formula: C₁₂H₆O₈ Molecular Weight: 278.17

IUPAC Name: 2,3,9,10-tetrahydroxypyrano[3,2-c]isochromene-6,8-dione

SMILES: C1=C2C(=C3C(=CC(=C(O3)O)O)OC2=O)C(=C(C1=O)O)O

InChIKey: UXHISTVMLJLECY-UHFFFAOYSA-N

InChI: InChI=1S/C12H6O8/c13-4-1-3-7(9(16)8(4)15)10-6(19-11(3)17)2-5(14)12(18)20-10/h1-2,14-16,18H

Synonyms: MLS000737267 | 6,8,9,10-tetrahydroxypyrano[3,2-c]isochromene-2,3-dione | FD10492 | DTXSID80205354 | 3,8,9,10-tetrahyd...

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Reticulol

Grade & Purity:

≥98%

Cas Number: 26246-41-3 Compound CID: 5359036

Formula: C₁₁H₁₀O₅ Molecular Weight: 222.19

IUPAC Name: 6,8-dihydroxy-7-methoxy-3-methylisochromen-1-one

SMILES: CC1=CC2=CC(=C(C(=C2C(=O)O1)O)OC)O

InChIKey: LREZRXWUEZCZRU-UHFFFAOYSA-N

InChI: InChI=1S/C11H10O5/c1-5-3-6-4-7(12)10(15-2)9(13)8(6)11(14)16-5/h3-4,12-13H,1-2H3

Synonyms: HB4057 | NSC 294978 | 6,8-Dihydroxy-7-methoxy-3-methylisocoumarin | HY-120241 | K-251-1 | NSC294978 | NSC-294978 | 6,...

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Isocoumarins and derivatives

Description:

Ancestors: