5-[3-carboxy-4-[(2-carboxyphenyl)carbamoyl]phenyl]carbonyl-2-[(2-carboxyphenyl)carbamoyl]benzoic acid

Systemtic Name: 5-[3-carboxy-4-[(2-carboxyphenyl)carbamoyl]phenyl]carbonyl-2-[(2-carboxyphenyl)carbamoyl]benzoic acid Openeye Name: 5-[3-carboxy-4-[(2-carboxyphenyl)carbamoyl]benzoyl]-2-[(2-carboxyphenyl)carbamoyl]benzoic acid CAS Name: 2-[(2-carboxyanilino)-oxomethyl]-5-[[3-carboxy-4-[(2-carboxyanilino)-oxomethyl]phenyl]-oxomethyl]benzoic acid IUPAC Name: 5-[3-carboxy-4-[(2-carboxyphenyl)carbamoyl]benzoyl]-2-[(2-carboxyphenyl)carbamoyl]benzoic acid Traditional Name: 5-[3-carboxy-4-[(2-carboxyphenyl)carbamoyl]benzoyl]-2-[(2-carboxyphenyl)carbamoyl]benzoic acid Formula: C31H20N2O11 MolecularWeight: 596.4973

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=C(C=C(C=C2)C(=O)C3=CC(=C(C=C3)C(=O)NC4=CC=CC=C4C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC(=O)C2=C(C=C(C=C2)C(=O)C3=CC(=C(C=C3)C(=O)NC4=CC=CC=C4C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C31H20N2O11/c34-25(15-9-11-17(21(13-15)30(41)42)26(35)32-23-7-3-1-5-19(23)28(37)38)16-10-12-18(22(14-16)31(43)44)27(36)33-24-8-4-2-6-20(24)29(39)40/h1-14H,(H,32,35)(H,33,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)