Organooxygen compounds

tert-Butyl 4-(4-acetylphenyl)-piperazine-1-carboxylate

Grade & Purity:

≥97%

Cas Number: 189763-86-8 Compound CID: 21136190

IUPAC Name: tert-butyl 4-(4-acetylphenyl)piperazine-1-carboxylate

SMILES: CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)OC(C)(C)C

InChIKey: RNENNIIGKWIJDK-UHFFFAOYSA-N

InChI: InChI=1S/C17H24N2O3/c1-13(20)14-5-7-15(8-6-14)18-9-11-19(12-10-18)16(21)22-17(2,3)4/h5-8H,9-12H2,1-4H3

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[2-[2-(2-hydroxyethoxy)ethoxy]ethyl] hydrogen adipate

Grade & Purity:

≥95%

Cas Number: 64114-59-6

Formula: C₁₂H₂₂O₇ Molecular Weight: 278.2989

SMILES: C(CCC(=O)OCCOCCOCCO)CC(=O)O

InChIKey: ZJRNXLJWZAVCCB-UHFFFAOYSA-N

InChI: InChI=1S/C12H22O7/c13-5-6-17-7-8-18-9-10-19-12(16)4-2-1-3-11(14)15/h13H,1-10H2,(H,14,15)

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Torachrysone 8-O-glucoside

Grade & Purity:

≥98%

Cas Number: 64032-49-1 Compound CID: 11972479

IUPAC Name: 1-[1-hydroxy-6-methoxy-3-methyl-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalen-2-yl]ethanone

SMILES: CC1=CC2=CC(=CC(=C2C(=C1C(=O)C)O)OC3C(C(C(C(O3)CO)O)O)O)OC

InChIKey: GHKWPHRULCFTBB-CZNQJBLBSA-N

InChI: InChI=1S/C20H24O9/c1-8-4-10-5-11(27-3)6-12(15(10)17(24)14(8)9(2)22)28-20-19(26)18(25)16(23)13(7-21)29-20/h4-6,13,16,18-21,23-26H,7H2,1-3H3/t13-,16-,18show more

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Tienilic Acid

Grade & Purity:

Moligand™

≥97%

Cas Number: 40180-04-9 EC Number: 254-826-3 Compound CID: 38409

Formula: C₁₃H₈Cl₂O₄S Molecular Weight: 331.17

IUPAC Name: 2-[2,3-dichloro-4-(thiophene-2-carbonyl)phenoxy]acetic acid

SMILES: C1=CSC(=C1)C(=O)C2=C(C(=C(C=C2)OCC(=O)O)Cl)Cl

InChIKey: AGHANLSBXUWXTB-UHFFFAOYSA-N

InChI: InChI=1S/C13H8Cl2O4S/c14-11-7(13(18)9-2-1-5-20-9)3-4-8(12(11)15)19-6-10(16)17/h1-5H,6H2,(H,16,17)

Synonyms: [2,3-Dichloro-4-(2-thienylcarbonyl)phenoxy]-acetic acid | Tienylic acid | Ticrynafen

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Tributyl(2，3-dihydrothieno[3，4-b][1，4]dioxin-5-yl)stannane

Grade & Purity:

≥95%

Cas Number: 175922-79-9 Compound CID: 15891053

IUPAC Name: tributyl(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-yl)stannane

SMILES: CCCC[Sn](CCCC)(CCCC)C1=C2C(=CS1)OCCO2

InChIKey: SQRICDVGYLFTLO-UHFFFAOYSA-N

InChI: InChI=1S/C6H5O2S.3C4H9.Sn/c1-2-8-6-4-9-3-5(6)7-1;3*1-3-4-2;/h3H,1-2H2;3*1,3-4H2,2H3;

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[2-(2-fluorophenyl)-2-oxoethyl]propanedinitrile

Grade & Purity:

≥98%

Cas Number: 312307-38-3 EC Number: 807-718-0 Compound CID: 86660270

IUPAC Name: 2-[2-(2-fluorophenyl)-2-oxoethyl]propanedinitrile

SMILES: C1=CC=C(C(=C1)C(=O)CC(C#N)C#N)F

InChIKey: NOUFLZSMHQHSHA-UHFFFAOYSA-N

InChI: InChI=1S/C11H7FN2O/c12-10-4-2-1-3-9(10)11(15)5-8(6-13)7-14/h1-4,8H,5H2

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Zomepirac sodium salt

Grade & Purity:

≥99%

Cas Number: 64092-48-4 Compound CID: 16220118

Formula: C₁₅H₁₃ClNO₃Na Molecular Weight: 313.71

IUPAC Name: sodium;2-[5-(4-chlorobenzoyl)-1,4-dimethylpyrrol-2-yl]acetate

SMILES: CC1=C(N(C(=C1)CC(=O)[O-])C)C(=O)C2=CC=C(C=C2)Cl.[Na+]

InChIKey: SEEXPXUCHVGZGU-UHFFFAOYSA-M

InChI: InChI=1S/C15H14ClNO3.Na/c1-9-7-12(8-13(18)19)17(2)14(9)15(20)10-3-5-11(16)6-4-10;/h3-7H,8H2,1-2H3,(H,18,19);/q;+1/p-1

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Pinacol 2-ethoxy-6-trifluoromethylpyridine-4-borate

Grade & Purity:

≥95%

Cas Number: 1256359-30-4 Compound CID: 53217168

Formula: C₁₄H₁₉BF₃NO₃ Molecular Weight: 317.11

IUPAC Name: 2-ethoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)pyridine

SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=NC(=C2)OCC)C(F)(F)F

InChIKey: KELJGVUNDSVSCJ-UHFFFAOYSA-N

InChI: InChI=1S/C14H19BF3NO3/c1-6-20-11-8-9(7-10(19-11)14(16,17)18)15-21-12(2,3)13(4,5)22-15/h7-8H,6H2,1-5H3

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Phenyl-1-thio-β-D-glucopyranoside

Grade & Purity:

≥99%

Cas Number: 2936-70-1 Compound CID: 10934592

Formula: C₁₂H₁₆O₅S Molecular Weight: 272.32

IUPAC Name: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-phenylsulfanyloxane-3,4,5-triol

SMILES: C1=CC=C(C=C1)SC2C(C(C(C(O2)CO)O)O)O

InChIKey: OVLYAISOYPJBLU-ZIQFBCGOSA-N

InChI: InChI=1S/C12H16O5S/c13-6-8-9(14)10(15)11(16)12(17-8)18-7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8-,9-,10+,11-,12+/m1/s1

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Phenyl 2，3，4，6-tetra-O-acetyl-β-D-glucopyranoside

Grade & Purity:

≥98%

Cas Number: 4468-72-8 Compound CID: 299829

IUPAC Name: (3,4,5-triacetyloxy-6-phenoxyoxan-2-yl)methyl acetate

SMILES: CC(=O)OCC1C(C(C(C(O1)OC2=CC=CC=C2)OC(=O)C)OC(=O)C)OC(=O)C

InChIKey: HPKPFIHCMIKXMU-UHFFFAOYSA-N

InChI: InChI=1S/C20H24O10/c1-11(21)25-10-16-17(26-12(2)22)18(27-13(3)23)19(28-14(4)24)20(30-16)29-15-8-6-5-7-9-15/h5-9,16-20H,10H2,1-4H3

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P-NITROPHENYL BETA-D-LACTOPYRANOSIDE

Grade & Purity:

≥98%

Cas Number: 4419-94-7 Compound CID: 11812612

Formula: C₁₈H₂₅NO₁₃ Molecular Weight: 463.39

IUPAC Name: (2S,3R,4S,5R,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-(4-nitrophenoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

SMILES: C1=CC(=CC=C1[N+](=O)[O-])OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)O)O)O)O

InChIKey: IAYJZWFYUSNIPN-MUKCROHVSA-N

InChI: InChI=1S/C18H25NO13/c20-5-9-11(22)12(23)14(25)18(30-9)32-16-10(6-21)31-17(15(26)13(16)24)29-8-3-1-7(2-4-8)19(27)28/h1-4,9-18,20-26H,5-6H2/t9-,10-,11+,show more

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Pyridine，2-bromo-3-methoxy-， 1-oxide

Grade & Purity:

≥97%

Cas Number: 104819-48-9 Compound CID: 25220435

Formula: C₆H₆BrNO₂ Molecular Weight: 204.03

IUPAC Name: 2-bromo-3-methoxy-1-oxidopyridin-1-ium

SMILES: COC1=C([N+](=CC=C1)[O-])Br

InChIKey: HZSVGYDULFVJAB-UHFFFAOYSA-N

InChI: InChI=1S/C6H6BrNO2/c1-10-5-3-2-4-8(9)6(5)7/h2-4H,1H3

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Organooxygen compounds

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