methyl (Z)-3-phenylsulfanyloct-2-enoate

Systemtic Name: methyl (Z)-3-phenylsulfanyloct-2-enoate Openeye Name: methyl (Z)-3-phenylsulfanyloct-2-enoate CAS Name: (Z)-3-(phenylthio)-2-octenoic acid methyl ester IUPAC Name: methyl (Z)-3-phenylsulfanyloct-2-enoate Traditional Name: (Z)-3-(phenylthio)oct-2-enoic acid methyl ester Formula: C15H20O2S MolecularWeight: 264.3831

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=CC(=O)OC)SC1=CC=CC=C1

Isomeric SMILES

CCCCC/C(=C/C(=O)OC)/SC1=CC=CC=C1

InChI

InChI=1S/C15H20O2S/c1-3-4-6-11-14(12-15(16)17-2)18-13-9-7-5-8-10-13/h5,7-10,12H,3-4,6,11H2,1-2H3/b14-12-