methyl (Z)-2-phenylhept-2-enedithioate

Systemtic Name: methyl (Z)-2-phenylhept-2-enedithioate Openeye Name: methyl (Z)-2-phenylhept-2-enedithioate CAS Name: (Z)-2-phenyl-2-heptenedithioic acid methyl ester IUPAC Name: methyl (Z)-2-phenylhept-2-enedithioate Traditional Name: (Z)-2-phenylhept-2-enedithioic acid methyl ester Formula: C14H18S2 MolecularWeight: 250.42272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC/C=C(/C1=CC=CC=C1)\C(=S)SC

InChI

InChI=1S/C14H18S2/c1-3-4-6-11-13(14(15)16-2)12-9-7-5-8-10-12/h5,7-11H,3-4,6H2,1-2H3/b13-11-