3-[[3,5-bis[(2,3-dicarboxyphenyl)carbamoyl]phenyl]carbonylamino]phthalic acid

Systemtic Name: 3-[[3,5-bis[(2,3-dicarboxyphenyl)carbamoyl]phenyl]carbonylamino]phthalic acid Openeye Name: 3-[[3,5-bis[(2,3-dicarboxyphenyl)carbamoyl]benzoyl]amino]phthalic acid CAS Name: 3-[[[3,5-bis[(2,3-dicarboxyanilino)-oxomethyl]phenyl]-oxomethyl]amino]phthalic acid IUPAC Name: 3-[[3,5-bis[(2,3-dicarboxyphenyl)carbamoyl]benzoyl]amino]phthalic acid Traditional Name: 3-[[3,5-bis[(2,3-dicarboxyphenyl)carbamoyl]benzoyl]amino]phthalic acid Formula: C33H21N3O15 MolecularWeight: 699.53094

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)NC(=O)C2=CC(=CC(=C2)C(=O)NC3=CC=CC(=C3C(=O)O)C(=O)O)C(=O)NC4=CC=CC(=C4C(=O)O)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C(=C1)NC(=O)C2=CC(=CC(=C2)C(=O)NC3=CC=CC(=C3C(=O)O)C(=O)O)C(=O)NC4=CC=CC(=C4C(=O)O)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C33H21N3O15/c37-25(34-19-7-1-4-16(28(40)41)22(19)31(46)47)13-10-14(26(38)35-20-8-2-5-17(29(42)43)23(20)32(48)49)12-15(11-13)27(39)36-21-9-3-6-18(30(44)45)24(21)33(50)51/h1-12H,(H,34,37)(H,35,38)(H,36,39)(H,40,41)(H,42,43)(H,44,45)(H,46,47)(H,48,49)(H,50,51)