4-[[3-carboxy-5-[(3,4-dicarboxyphenyl)carbamoyl]phenyl]carbonylamino]phthalic acid

Systemtic Name: 4-[[3-carboxy-5-[(3,4-dicarboxyphenyl)carbamoyl]phenyl]carbonylamino]phthalic acid Openeye Name: 4-[[3-carboxy-5-[(3,4-dicarboxyphenyl)carbamoyl]benzoyl]amino]phthalic acid CAS Name: 4-[[[3-carboxy-5-[(3,4-dicarboxyanilino)-oxomethyl]phenyl]-oxomethyl]amino]phthalic acid IUPAC Name: 4-[[3-carboxy-5-[(3,4-dicarboxyphenyl)carbamoyl]benzoyl]amino]phthalic acid Traditional Name: 4-[[3-carboxy-5-[(3,4-dicarboxyphenyl)carbamoyl]benzoyl]amino]phthalic acid Formula: C25H16N2O12 MolecularWeight: 536.40074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)C2=CC(=CC(=C2)C(=O)O)C(=O)NC3=CC(=C(C=C3)C(=O)O)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)C2=CC(=CC(=C2)C(=O)O)C(=O)NC3=CC(=C(C=C3)C(=O)O)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C25H16N2O12/c28-19(26-13-1-3-15(22(32)33)17(8-13)24(36)37)10-5-11(7-12(6-10)21(30)31)20(29)27-14-2-4-16(23(34)35)18(9-14)25(38)39/h1-9H,(H,26,28)(H,27,29)(H,30,31)(H,32,33)(H,34,35)(H,36,37)(H,38,39)