[1,2-bis(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 4-methylbenzenesulfonate

Systemtic Name: [1,2-bis(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 4-methylbenzenesulfonate Openeye Name: [1,2-bis(4-methylsulfanylphenyl)-2-oxo-ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1,2-bis[4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [1,2-bis(4-methylsulfanylphenyl)-2-oxoethyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-keto-1,2-bis[4-(methylthio)phenyl]ethyl] ester Formula: C23H22O4S3 MolecularWeight: 458.61338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C2=CC=C(C=C2)SC)C(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(C2=CC=C(C=C2)SC)C(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C23H22O4S3/c1-16-4-14-21(15-5-16)30(25,26)27-23(18-8-12-20(29-3)13-9-18)22(24)17-6-10-19(28-2)11-7-17/h4-15,23H,1-3H3