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Phthalate esters
Description:
Ester derivatives of phthalic acids, which are based on a benzene dicarboxylic acid skeleton.
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3，6，9，12，15-Pentaoxabicyclo[15.3.1]heneicosa-1(21)，17，19-triene-2，16-dioneCas Number: 65745-83-7Formula: C16H20O7 Molecular Weight: 324.3258SMILES: C1COCCOC(=O)C2=CC(=CC=C2)C(=O)OCCOCCO1InChIKey: HZYZWGYPBXBALT-UHFFFAOYSA-NInChI: InChI=1S/C16H20O7/c17-15-13-2-1-3-14(12-13)16(18)23-11-9-21-7-5-19-4-6-20-8-10-22-15/h1-3,12H,4-11H2 -
2-Bromo-4-(methoxycarbonyl)benzoic acidCas Number: 911799-84-3 Compound CID: 53417931Formula: C9H7BrO4 Molecular Weight: 259.05IUPAC Name: 2-bromo-4-methoxycarbonylbenzoic acidSMILES: COC(=O)C1=CC(=C(C=C1)C(=O)O)BrInChIKey: NVIVSQBLUICPCL-UHFFFAOYSA-NInChI: InChI=1S/C9H7BrO4/c1-14-9(13)5-2-3-6(8(11)12)7(10)4-5/h2-4H,1H3,(H,11,12)
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1，4-Benzenedicarboxylic acid， 1，4-diethenyl esterCas Number: 13846-19-0Formula: C12H10O4 Molecular Weight: 218.2054SMILES: C=COC(=O)C1=CC=C(C=C1)C(=O)OC=CInChIKey: IHXBXGHGYCSRAP-UHFFFAOYSA-NInChI: InChI=1S/C12H10O4/c1-3-15-11(13)9-5-7-10(8-6-9)12(14)16-4-2/h3-8H,1-2H2
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Bis(4-hydroxybutyl)terephthalateCas Number: 23358-95-4 Compound CID: 11001391Formula: C16H22O6 Molecular Weight: 310.34IUPAC Name: bis(4-hydroxybutyl) benzene-1,4-dicarboxylateSMILES: C1=CC(=CC=C1C(=O)OCCCCO)C(=O)OCCCCOInChIKey: MRLFFZIIRRKXBJ-UHFFFAOYSA-NInChI: InChI=1S/C16H22O6/c17-9-1-3-11-21-15(19)13-5-7-14(8-6-13)16(20)22-12-4-2-10-18/h5-8,17-18H,1-4,9-12H2
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3-(Methoxycarbonyl)-4-nitrobenzoic AcidCas Number: 64152-09-6 Compound CID: 12350518Formula: C9H7NO6 Molecular Weight: 225.156IUPAC Name: 3-methoxycarbonyl-4-nitrobenzoic acidSMILES: COC(=O)C1=C(C=CC(=C1)C(=O)O)[N+](=O)[O-]InChIKey: KRACQAXEQJJYLE-UHFFFAOYSA-NInChI: InChI=1S/C9H7NO6/c1-16-9(13)6-4-5(8(11)12)2-3-7(6)10(14)15/h2-4H,1H3,(H,11,12)
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3-(Methoxycarbonyl)-2-nitrobenzoic acidCas Number: 861593-27-3 Compound CID: 24729180Formula: C9H7NO6 Molecular Weight: 225.15IUPAC Name: 3-methoxycarbonyl-2-nitrobenzoic acidSMILES: COC(=O)C1=CC=CC(=C1[N+](=O)[O-])C(=O)OInChIKey: NUULGBPUCNUUQD-UHFFFAOYSA-NInChI: InChI=1S/C9H7NO6/c1-16-9(13)6-4-2-3-5(8(11)12)7(6)10(14)15/h2-4H,1H3,(H,11,12)
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2-Chloro-5-(methoxycarbonyl)benzoic acidIUPAC Name: 2-chloro-5-methoxycarbonylbenzoic acidSMILES: COC(=O)C1=CC(=C(C=C1)Cl)C(=O)OInChIKey: YHXPAIMKXLFOOT-UHFFFAOYSA-NInChI: InChI=1S/C9H7ClO4/c1-14-9(13)5-2-3-7(10)6(4-5)8(11)12/h2-4H,1H3,(H,11,12)
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Monomethyl 5-amino isophthalateCas Number: 28179-47-7 Compound CID: 13557643Formula: C9H9NO4 Molecular Weight: 195.17IUPAC Name: 3-amino-5-methoxycarbonylbenzoic acidSMILES: COC(=O)C1=CC(=CC(=C1)C(=O)O)NInChIKey: QGGKQIDRZUUHAR-UHFFFAOYSA-NInChI: InChI=1S/C9H9NO4/c1-14-9(13)6-2-5(8(11)12)3-7(10)4-6/h2-4H,10H2,1H3,(H,11,12)
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5-(Methoxycarbonyl)-2-nitrobenzoic AcidCas Number: 76143-33-4 Compound CID: 14938098Formula: C9H7NO6 Molecular Weight: 225.15g/molIUPAC Name: 5-methoxycarbonyl-2-nitrobenzoic acidSMILES: COC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])C(=O)OInChIKey: MJSJVFTZSILELE-UHFFFAOYSA-NInChI: InChI=1S/C9H7NO6/c1-16-9(13)5-2-3-7(10(14)15)6(4-5)8(11)12/h2-4H,1H3,(H,11,12)
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4-(Methoxycarbonyl)-2-nitrobenzoic acidCas Number: 55737-66-1 Compound CID: 21906474Formula: C9H7NO6 Molecular Weight: 225.15IUPAC Name: 4-methoxycarbonyl-2-nitrobenzoic acidSMILES: COC(=O)C1=CC(=C(C=C1)C(=O)O)[N+](=O)[O-]InChIKey: VULISSQANNKDCH-UHFFFAOYSA-NInChI: InChI=1S/C9H7NO6/c1-16-9(13)5-2-3-6(8(11)12)7(4-5)10(14)15/h2-4H,1H3,(H,11,12)
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3-Fluoro-5-(methoxycarbonyl)benzoic AcidFormula: C9H7FO4 Molecular Weight: 198.15IUPAC Name: 3-fluoro-5-methoxycarbonylbenzoic acidSMILES: COC(=O)C1=CC(=CC(=C1)C(=O)O)FInChIKey: SFUQWJIUIYAPDJ-UHFFFAOYSA-NInChI: InChI=1S/C9H7FO4/c1-14-9(13)6-2-5(8(11)12)3-7(10)4-6/h2-4H,1H3,(H,11,12)
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2-fluoro-4-(methoxycarbonyl)benzoic acidCas Number: 314241-04-8 Compound CID: 59295093Formula: C9H7FO4 Molecular Weight: 198.15IUPAC Name: 2-fluoro-4-methoxycarbonylbenzoic acidSMILES: COC(=O)C1=CC(=C(C=C1)C(=O)O)FInChIKey: XRXCBKITDLPTEF-UHFFFAOYSA-NInChI: InChI=1S/C9H7FO4/c1-14-9(13)5-2-3-6(8(11)12)7(10)4-5/h2-4H,1H3,(H,11,12)
