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

Systemtic Name: 4-[(3-acetamidophenyl)amino]-1-azanyl-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid Openeye Name: 4-(3-acetamidoanilino)-1-amino-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 4-(3-acetamidoanilino)-1-amino-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 4-(3-acetamidoanilino)-1-amino-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 4-(3-acetamidoanilino)-1-amino-9,10-diketo-anthracene-2-sulfonic acid Formula: C22H17N3O6S MolecularWeight: 451.45188

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O

InChI

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