4-[(4-acetamidophenyl)amino]-1-azanyl-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid; sodium

Systemtic Name: 4-[(4-acetamidophenyl)amino]-1-azanyl-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid; sodium Openeye Name: 4-(4-acetamidoanilino)-1-amino-9,10-dioxo-anthracene-2-sulfonic acid; sodium CAS Name: 4-(4-acetamidoanilino)-1-amino-9,10-dioxo-2-anthracenesulfonic acid; sodium IUPAC Name: 4-(4-acetamidoanilino)-1-amino-9,10-dioxoanthracene-2-sulfonic acid; sodium Traditional Name: 4-(4-acetamidoanilino)-1-amino-9,10-diketo-anthracene-2-sulfonic acid; sodium Formula: C22H17N3NaO6S MolecularWeight: 474.44165

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O.[Na]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O.[Na]

InChI

InChI=1S/C22H17N3O6S.Na/c1-11(26)24-12-6-8-13(9-7-12)25-16-10-17(32(29,30)31)20(23)19-18(16)21(27)14-4-2-3-5-15(14)22(19)28;/h2-10,25H,23H2,1H3,(H,24,26)(H,29,30,31);