[2-[phenyl(sulfanyl)methyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-[phenyl(sulfanyl)methyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-[phenyl(sulfanyl)methyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[mercapto(phenyl)methyl]phenyl] ester IUPAC Name: [2-[phenyl(sulfanyl)methyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[mercapto(phenyl)methyl]phenyl] ester Formula: C20H18O3S2 MolecularWeight: 370.48512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C(C3=CC=CC=C3)S

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C(C3=CC=CC=C3)S

InChI

InChI=1S/C20H18O3S2/c1-15-11-13-17(14-12-15)25(21,22)23-19-10-6-5-9-18(19)20(24)16-7-3-2-4-8-16/h2-14,20,24H,1H3