1-azanyl-4-[(3-benzamidophenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid

Systemtic Name: 1-azanyl-4-[(3-benzamidophenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid Openeye Name: 1-amino-4-(3-benzamidoanilino)-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 1-amino-4-(3-benzamidoanilino)-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 1-amino-4-(3-benzamidoanilino)-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 1-amino-4-(3-benzamidoanilino)-9,10-diketo-anthracene-2-sulfonic acid Formula: C27H19N3O6S MolecularWeight: 513.52126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H19N3O6S/c28-24-21(37(34,35)36)14-20(22-23(24)26(32)19-12-5-4-11-18(19)25(22)31)29-16-9-6-10-17(13-16)30-27(33)15-7-2-1-3-8-15/h1-14,29H,28H2,(H,30,33)(H,34,35,36)