methyl 3-(4-methylphenyl)butanedithioate

Systemtic Name: methyl 3-(4-methylphenyl)butanedithioate Openeye Name: methyl 3-(p-tolyl)butanedithioate CAS Name: 3-(4-methylphenyl)butanedithioic acid methyl ester IUPAC Name: methyl 3-(4-methylphenyl)butanedithioate Traditional Name: 3-(p-tolyl)butanedithioic acid methyl ester Formula: C12H16S2 MolecularWeight: 224.38544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C)CC(=S)SC

Isomeric SMILES

CC1=CC=C(C=C1)C(C)CC(=S)SC

InChI

InChI=1S/C12H16S2/c1-9-4-6-11(7-5-9)10(2)8-12(13)14-3/h4-7,10H,8H2,1-3H3