azanium 1-azanyl-4-[(2-methylphenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate

Systemtic Name: azanium 1-azanyl-4-[(2-methylphenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonate Openeye Name: ammonium 1-amino-4-(2-methylanilino)-9,10-dioxo-anthracene-2-sulfonate CAS Name: ammonium 1-amino-4-(2-methylanilino)-9,10-dioxo-2-anthracenesulfonate IUPAC Name: azanium 1-amino-4-(2-methylanilino)-9,10-dioxoanthracene-2-sulfonate Traditional Name: ammonium 1-amino-9,10-diketo-4-(o-toluidino)anthracene-2-sulfonate Formula: C21H19N3O5S MolecularWeight: 425.45766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-].[NH4+]

Isomeric SMILES

CC1=CC=CC=C1NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)[O-].[NH4+]

InChI

InChI=1S/C21H16N2O5S.H3N/c1-11-6-2-5-9-14(11)23-15-10-16(29(26,27)28)19(22)18-17(15)20(24)12-7-3-4-8-13(12)21(18)25;/h2-10,23H,22H2,1H3,(H,26,27,28);1H3