[3-methyl-3-(phenylmethylsulfanyl)butyl] 4-methylbenzenesulfonate

Systemtic Name: [3-methyl-3-(phenylmethylsulfanyl)butyl] 4-methylbenzenesulfonate Openeye Name: (3-benzylsulfanyl-3-methyl-butyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-methyl-3-(phenylmethylthio)butyl] ester IUPAC Name: (3-benzylsulfanyl-3-methylbutyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-(benzylthio)-3-methyl-butyl] ester Formula: C19H24O3S2 MolecularWeight: 364.52206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC(C)(C)SCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC(C)(C)SCC2=CC=CC=C2

InChI

InChI=1S/C19H24O3S2/c1-16-9-11-18(12-10-16)24(20,21)22-14-13-19(2,3)23-15-17-7-5-4-6-8-17/h4-12H,13-15H2,1-3H3