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

Systemtic Name: [8-(2-diethylaminoethylamino)-9-oxidanylidene-thioxanthen-2-yl] 2-methylbenzenesulfonate Openeye Name: [8-(2-diethylaminoethylamino)-9-oxo-thioxanthen-2-yl] 2-methylbenzenesulfonate CAS Name: 2-methylbenzenesulfonic acid [8-(2-diethylaminoethylamino)-9-oxo-2-thioxanthenyl] ester IUPAC Name: [8-(2-diethylaminoethylamino)-9-oxothioxanthen-2-yl] 2-methylbenzenesulfonate Traditional Name: 2-methylbenzenesulfonic acid [8-(2-diethylaminoethylamino)-9-keto-thioxanthen-2-yl] ester Formula: C26H28N2O4S2 MolecularWeight: 496.64152

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=C2C(=CC=C1)SC3=C(C2=O)C=C(C=C3)OS(=O)(=O)C4=CC=CC=C4C

Isomeric SMILES

CCN(CC)CCNC1=C2C(=CC=C1)SC3=C(C2=O)C=C(C=C3)OS(=O)(=O)C4=CC=CC=C4C

InChI

InChI=1S/C26H28N2O4S2/c1-4-28(5-2)16-15-27-21-10-8-11-23-25(21)26(29)20-17-19(13-14-22(20)33-23)32-34(30,31)24-12-7-6-9-18(24)3/h6-14,17,27H,4-5,15-16H2,1-3H3