[3-(cyclohexen-1-yl)-3-phenylsulfanyl-propyl] benzoate

Systemtic Name: [3-(cyclohexen-1-yl)-3-phenylsulfanyl-propyl] benzoate Openeye Name: [3-(cyclohexen-1-yl)-3-phenylsulfanyl-propyl] benzoate CAS Name: benzoic acid [3-(1-cyclohexenyl)-3-(phenylthio)propyl] ester IUPAC Name: [3-(cyclohexen-1-yl)-3-phenylsulfanylpropyl] benzoate Traditional Name: benzoic acid [3-(cyclohexen-1-yl)-3-(phenylthio)propyl] ester Formula: C22H24O2S MolecularWeight: 352.48976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)C(CCOC(=O)C2=CC=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

C1CCC(=CC1)C(CCOC(=O)C2=CC=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C22H24O2S/c23-22(19-12-6-2-7-13-19)24-17-16-21(18-10-4-1-5-11-18)25-20-14-8-3-9-15-20/h2-3,6-10,12-15,21H,1,4-5,11,16-17H2