[8-(2-dimethylaminoethylamino)-9-oxidanylidene-thioxanthen-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [8-(2-dimethylaminoethylamino)-9-oxidanylidene-thioxanthen-2-yl] 4-methylbenzenesulfonate Openeye Name: [8-(2-dimethylaminoethylamino)-9-oxo-thioxanthen-2-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [8-(2-dimethylaminoethylamino)-9-oxo-2-thioxanthenyl] ester IUPAC Name: [8-(2-dimethylaminoethylamino)-9-oxothioxanthen-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [8-(2-dimethylaminoethylamino)-9-keto-thioxanthen-2-yl] ester Formula: C24H24N2O4S2 MolecularWeight: 468.58836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)SC4=CC=CC(=C4C3=O)NCCN(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC3=C(C=C2)SC4=CC=CC(=C4C3=O)NCCN(C)C

InChI

InChI=1S/C24H24N2O4S2/c1-16-7-10-18(11-8-16)32(28,29)30-17-9-12-21-19(15-17)24(27)23-20(25-13-14-26(2)3)5-4-6-22(23)31-21/h4-12,15,25H,13-14H2,1-3H3