2-[[5-[(2-carboxyphenyl)amino]-9,10-bis(oxidanylidene)anthracen-1-yl]amino]benzoic acid

Systemtic Name: 2-[[5-[(2-carboxyphenyl)amino]-9,10-bis(oxidanylidene)anthracen-1-yl]amino]benzoic acid Openeye Name: 2-[[5-(2-carboxyanilino)-9,10-dioxo-1-anthryl]amino]benzoic acid CAS Name: 2-[[5-(2-carboxyanilino)-9,10-dioxo-1-anthracenyl]amino]benzoic acid IUPAC Name: 2-[[5-(2-carboxyanilino)-9,10-dioxoanthracen-1-yl]amino]benzoic acid Traditional Name: 2-[[5-(2-carboxyanilino)-9,10-diketo-1-anthryl]amino]benzoic acid Formula: C28H18N2O6 MolecularWeight: 478.45232

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)NC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)NC5=CC=CC=C5C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)NC2=CC=CC3=C2C(=O)C4=C(C3=O)C(=CC=C4)NC5=CC=CC=C5C(=O)O

InChI

InChI=1S/C28H18N2O6/c31-25-18-10-6-14-22(30-20-12-4-2-8-16(20)28(35)36)24(18)26(32)17-9-5-13-21(23(17)25)29-19-11-3-1-7-15(19)27(33)34/h1-14,29-30H,(H,33,34)(H,35,36)