(2-oxidanyl-3-phenylsulfanyl-propyl) 4-methylbenzenesulfonate

Systemtic Name: (2-oxidanyl-3-phenylsulfanyl-propyl) 4-methylbenzenesulfonate Openeye Name: (2-hydroxy-3-phenylsulfanyl-propyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-hydroxy-3-(phenylthio)propyl] ester IUPAC Name: (2-hydroxy-3-phenylsulfanylpropyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-hydroxy-3-(phenylthio)propyl] ester Formula: C16H18O4S2 MolecularWeight: 338.44172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CSC2=CC=CC=C2)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(CSC2=CC=CC=C2)O

InChI

InChI=1S/C16H18O4S2/c1-13-7-9-16(10-8-13)22(18,19)20-11-14(17)12-21-15-5-3-2-4-6-15/h2-10,14,17H,11-12H2,1H3