1-azanyl-4-[(2,6-dimethylphenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid

Systemtic Name: 1-azanyl-4-[(2,6-dimethylphenyl)amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid Openeye Name: 1-amino-4-(2,6-dimethylanilino)-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 1-amino-4-(2,6-dimethylanilino)-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 1-amino-4-(2,6-dimethylanilino)-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 1-amino-4-(2,6-dimethylanilino)-9,10-diketo-anthracene-2-sulfonic acid Formula: C22H18N2O5S MolecularWeight: 422.45372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O

InChI

InChI=1S/C22H18N2O5S/c1-11-6-5-7-12(2)20(11)24-15-10-16(30(27,28)29)19(23)18-17(15)21(25)13-8-3-4-9-14(13)22(18)26/h3-10,24H,23H2,1-2H3,(H,27,28,29)