3-[3-carboxy-2-[2-carboxy-6-(2,3-dicarboxyphenyl)carbonyl-phenyl]carbonyloxycarbonyl-phenyl]carbonylphthalic acid

Systemtic Name: 3-[3-carboxy-2-[2-carboxy-6-(2,3-dicarboxyphenyl)carbonyl-phenyl]carbonyloxycarbonyl-phenyl]carbonylphthalic acid Openeye Name: 3-[3-carboxy-2-[2-carboxy-6-(2,3-dicarboxybenzoyl)benzoyl]oxycarbonyl-benzoyl]phthalic acid CAS Name: 3-[[3-carboxy-2-[[[2-carboxy-6-[(2,3-dicarboxyphenyl)-oxomethyl]phenyl]-oxomethoxy]-oxomethyl]phenyl]-oxomethyl]phthalic acid IUPAC Name: 3-[3-carboxy-2-[2-carboxy-6-(2,3-dicarboxybenzoyl)benzoyl]oxycarbonylbenzoyl]phthalic acid Traditional Name: 3-[3-carboxy-2-[2-carboxy-6-(2,3-dicarboxybenzoyl)benzoyl]oxycarbonyl-benzoyl]phthalic acid Formula: C34H18O17 MolecularWeight: 698.49652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)C(=O)O)C(=O)O)C(=O)C2=C(C(=CC=C2)C(=O)O)C(=O)OC(=O)C3=C(C=CC=C3C(=O)O)C(=O)C4=C(C(=CC=C4)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C(=C1)C(=O)O)C(=O)O)C(=O)C2=C(C(=CC=C2)C(=O)O)C(=O)OC(=O)C3=C(C=CC=C3C(=O)O)C(=O)C4=C(C(=CC=C4)C(=O)O)C(=O)O

InChI

InChI=1S/C34H18O17/c35-25(13-5-1-9-17(27(37)38)21(13)31(45)46)15-7-3-11-19(29(41)42)23(15)33(49)51-34(50)24-16(8-4-12-20(24)30(43)44)26(36)14-6-2-10-18(28(39)40)22(14)32(47)48/h1-12H,(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H,47,48)