4-[[9,10-bis(oxidanylidene)-4-(propan-2-ylamino)anthracen-1-yl]amino]-2-methyl-benzenesulfonic acid

Systemtic Name: 4-[[9,10-bis(oxidanylidene)-4-(propan-2-ylamino)anthracen-1-yl]amino]-2-methyl-benzenesulfonic acid Openeye Name: 4-[[4-(isopropylamino)-9,10-dioxo-1-anthryl]amino]-2-methyl-benzenesulfonic acid CAS Name: 4-[[9,10-dioxo-4-(propan-2-ylamino)-1-anthracenyl]amino]-2-methylbenzenesulfonic acid IUPAC Name: 4-[[9,10-dioxo-4-(propan-2-ylamino)anthracen-1-yl]amino]-2-methylbenzenesulfonic acid Traditional Name: 4-[[4-(isopropylamino)-9,10-diketo-1-anthryl]amino]-2-methyl-besylic acid Formula: C24H22N2O5S MolecularWeight: 450.50688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=C3C(=C(C=C2)NC(C)C)C(=O)C4=CC=CC=C4C3=O)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=C3C(=C(C=C2)NC(C)C)C(=O)C4=CC=CC=C4C3=O)S(=O)(=O)O

InChI

InChI=1S/C24H22N2O5S/c1-13(2)25-18-9-10-19(26-15-8-11-20(14(3)12-15)32(29,30)31)22-21(18)23(27)16-6-4-5-7-17(16)24(22)28/h4-13,25-26H,1-3H3,(H,29,30,31)