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

Systemtic Name: 1-azanyl-9,10-bis(oxidanylidene)-4-[(4-phenylazanyl-3-sulfo-phenyl)amino]anthracene-2-carboxylic acid Openeye Name: 1-amino-4-(4-anilino-3-sulfo-anilino)-9,10-dioxo-anthracene-2-carboxylic acid CAS Name: 1-amino-4-(4-anilino-3-sulfoanilino)-9,10-dioxo-2-anthracenecarboxylic acid IUPAC Name: 1-amino-4-(4-anilino-3-sulfoanilino)-9,10-dioxoanthracene-2-carboxylic acid Traditional Name: 1-amino-4-(4-anilino-3-sulfo-anilino)-9,10-diketo-anthracene-2-carboxylic 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=C4C(=C(C(=C3)C(=O)O)N)C(=O)C5=CC=CC=C5C4=O)S(=O)(=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)S(=O)(=O)O

InChI

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