4-[3-carboxy-4-[2-carboxy-4-(3,4-dicarboxyphenyl)phenyl]carbonyloxycarbonyl-phenyl]phthalic acid

Systemtic Name: 4-[3-carboxy-4-[2-carboxy-4-(3,4-dicarboxyphenyl)phenyl]carbonyloxycarbonyl-phenyl]phthalic acid Openeye Name: 4-[3-carboxy-4-[2-carboxy-4-(3,4-dicarboxyphenyl)benzoyl]oxycarbonyl-phenyl]phthalic acid CAS Name: 4-[3-carboxy-4-[[[2-carboxy-4-(3,4-dicarboxyphenyl)phenyl]-oxomethoxy]-oxomethyl]phenyl]phthalic acid IUPAC Name: 4-[3-carboxy-4-[2-carboxy-4-(3,4-dicarboxyphenyl)benzoyl]oxycarbonylphenyl]phthalic acid Traditional Name: 4-[3-carboxy-4-[2-carboxy-4-(3,4-dicarboxyphenyl)benzoyl]oxycarbonyl-phenyl]phthalic acid Formula: C32H18O15 MolecularWeight: 642.47632

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=CC(=C(C=C2)C(=O)OC(=O)C3=C(C=C(C=C3)C4=CC(=C(C=C4)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C2=CC(=C(C=C2)C(=O)OC(=O)C3=C(C=C(C=C3)C4=CC(=C(C=C4)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C32H18O15/c33-25(34)17-5-1-13(9-21(17)27(37)38)15-3-7-19(23(11-15)29(41)42)31(45)47-32(46)20-8-4-16(12-24(20)30(43)44)14-2-6-18(26(35)36)22(10-14)28(39)40/h1-12H,(H,33,34)(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)