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

Systemtic Name: 4-(4-acetamidophenyl)-1,3-bis(azanyl)-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid Openeye Name: 4-(4-acetamidophenyl)-1,3-diamino-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 4-(4-acetamidophenyl)-1,3-diamino-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 4-(4-acetamidophenyl)-1,3-diamino-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 4-(4-acetamidophenyl)-1,3-diamino-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=C(C=C1)C2=C3C(=C(C(=C2N)S(=O)(=O)O)N)C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C2=C3C(=C(C(=C2N)S(=O)(=O)O)N)C(=O)C4=CC=CC=C4C3=O

InChI

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