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

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

Click to see the large picture

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);/q;+1