1-azanyl-4-[(3-carboxy-4-phenylazanyl-phenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid

Systemtic Name: 1-azanyl-4-[(3-carboxy-4-phenylazanyl-phenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid Openeye Name: 1-amino-4-(4-anilino-3-carboxy-anilino)-9,10-dioxo-anthracene-2-carboxylic acid CAS Name: 1-amino-4-(4-anilino-3-carboxyanilino)-9,10-dioxo-2-anthracenecarboxylic acid IUPAC Name: 1-amino-4-(4-anilino-3-carboxyanilino)-9,10-dioxoanthracene-2-carboxylic acid Traditional Name: 1-amino-4-(4-anilino-3-carboxy-anilino)-9,10-diketo-anthracene-2-carboxylic acid Formula: C28H19N3O6 MolecularWeight: 493.46696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=C(C=C(C=C2)NC3=C4C(=C(C(=C3)C(=O)O)N)C(=O)C5=CC=CC=C5C4=O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC2=C(C=C(C=C2)NC3=C4C(=C(C(=C3)C(=O)O)N)C(=O)C5=CC=CC=C5C4=O)C(=O)O

InChI

InChI=1S/C28H19N3O6/c29-24-19(28(36)37)13-21(22-23(24)26(33)17-9-5-4-8-16(17)25(22)32)31-15-10-11-20(18(12-15)27(34)35)30-14-6-2-1-3-7-14/h1-13,30-31H,29H2,(H,34,35)(H,36,37)