(2-methyl-2-oxidanyl-4-phenylsulfanyl-hex-5-enyl) 4-methylbenzenesulfonate

Systemtic Name: (2-methyl-2-oxidanyl-4-phenylsulfanyl-hex-5-enyl) 4-methylbenzenesulfonate Openeye Name: (2-hydroxy-2-methyl-4-phenylsulfanyl-hex-5-enyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-hydroxy-2-methyl-4-(phenylthio)hex-5-enyl] ester IUPAC Name: (2-hydroxy-2-methyl-4-phenylsulfanylhex-5-enyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-hydroxy-2-methyl-4-(phenylthio)hex-5-enyl] ester Formula: C20H24O4S2 MolecularWeight: 392.53216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)(CC(C=C)SC2=CC=CC=C2)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(C)(CC(C=C)SC2=CC=CC=C2)O

InChI

InChI=1S/C20H24O4S2/c1-4-17(25-18-8-6-5-7-9-18)14-20(3,21)15-24-26(22,23)19-12-10-16(2)11-13-19/h4-13,17,21H,1,14-15H2,2-3H3