(E,5S)-2-ethenyl-7-phenylsulfanyl-5-propan-2-yl-hept-6-enoyl chloride

Systemtic Name: (E,5S)-2-ethenyl-7-phenylsulfanyl-5-propan-2-yl-hept-6-enoyl chloride Openeye Name: (E,5S)-5-isopropyl-7-phenylsulfanyl-2-vinyl-hept-6-enoyl chloride CAS Name: (E,5S)-2-ethenyl-7-(phenylthio)-5-propan-2-yl-6-heptenoyl chloride IUPAC Name: (E,5S)-2-ethenyl-7-phenylsulfanyl-5-propan-2-ylhept-6-enoyl chloride Traditional Name: (E,5S)-5-isopropyl-7-(phenylthio)-2-vinyl-hept-6-enoyl chloride Formula: C18H23ClOS MolecularWeight: 322.89262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCC(C=C)C(=O)Cl)C=CSC1=CC=CC=C1

Isomeric SMILES

CC(C)[C@H](CCC(C=C)C(=O)Cl)/C=C/SC1=CC=CC=C1

InChI

InChI=1S/C18H23ClOS/c1-4-15(18(19)20)10-11-16(14(2)3)12-13-21-17-8-6-5-7-9-17/h4-9,12-16H,1,10-11H2,2-3H3/b13-12+/t15?,16-/m1/s1