5-[[4-azanyl-9,10-bis(oxidanylidene)-3-sulfo-anthracen-1-yl]amino]-2-phenylazanyl-benzoic acid

Systemtic Name: 5-[[4-azanyl-9,10-bis(oxidanylidene)-3-sulfo-anthracen-1-yl]amino]-2-phenylazanyl-benzoic acid Openeye Name: 5-[(4-amino-9,10-dioxo-3-sulfo-1-anthryl)amino]-2-anilino-benzoic acid CAS Name: 5-[(4-amino-9,10-dioxo-3-sulfo-1-anthracenyl)amino]-2-anilinobenzoic acid IUPAC Name: 5-[(4-amino-9,10-dioxo-3-sulfoanthracen-1-yl)amino]-2-anilinobenzoic acid Traditional Name: 5-[(4-amino-9,10-diketo-3-sulfo-1-anthryl)amino]-2-anilino-benzoic acid Formula: C27H19N3O7S MolecularWeight: 529.52066

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=C(C=C(C=C2)NC3=CC(=C(C4=C3C(=O)C5=CC=CC=C5C4=O)N)S(=O)(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC2=C(C=C(C=C2)NC3=CC(=C(C4=C3C(=O)C5=CC=CC=C5C4=O)N)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C27H19N3O7S/c28-24-21(38(35,36)37)13-20(22-23(24)26(32)17-9-5-4-8-16(17)25(22)31)30-15-10-11-19(18(12-15)27(33)34)29-14-6-2-1-3-7-14/h1-13,29-30H,28H2,(H,33,34)(H,35,36,37)