[(E,3S)-4-[(S)-(4-methylphenyl)sulfinyl]-1-phenyl-non-4-en-3-yl] methanesulfonate

Systemtic Name: [(E,3S)-4-[(S)-(4-methylphenyl)sulfinyl]-1-phenyl-non-4-en-3-yl] methanesulfonate Openeye Name: [(E,1S)-1-phenethyl-2-[(S)-p-tolylsulfinyl]hept-2-enyl] methanesulfonate CAS Name: methanesulfonic acid [(E,3S)-4-[(S)-(4-methylphenyl)sulfinyl]-1-phenylnon-4-en-3-yl] ester IUPAC Name: [(E,3S)-4-[(S)-(4-methylphenyl)sulfinyl]-1-phenylnon-4-en-3-yl] methanesulfonate Traditional Name: methanesulfonic acid [(E,1S)-1-phenethyl-2-[(S)-p-tolylsulfinyl]hept-2-enyl] ester Formula: C23H30O4S2 MolecularWeight: 434.6119

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC=C(C(CCC1=CC=CC=C1)OS(=O)(=O)C)S(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCC/C=C(\[C@H](CCC1=CC=CC=C1)OS(=O)(=O)C)/[S@@](=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C23H30O4S2/c1-4-5-7-12-23(28(24)21-16-13-19(2)14-17-21)22(27-29(3,25)26)18-15-20-10-8-6-9-11-20/h6,8-14,16-17,22H,4-5,7,15,18H2,1-3H3/b23-12+/t22-,28-/m0/s1