methyl 2-[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylbenzoate

Systemtic Name: methyl 2-[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylbenzoate Openeye Name: methyl 2-[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylbenzoate CAS Name: 2-[[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]thio]benzoic acid methyl ester IUPAC Name: methyl 2-[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylbenzoate Traditional Name: 2-[[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]thio]benzoic acid methyl ester Formula: C23H32O2S MolecularWeight: 372.56398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCCC(=CCSC1=CC=CC=C1C(=O)OC)C)C)C

Isomeric SMILES

CC(=CCC/C(=C\CC/C(=C\CSC1=CC=CC=C1C(=O)OC)/C)/C)C

InChI

InChI=1S/C23H32O2S/c1-18(2)10-8-11-19(3)12-9-13-20(4)16-17-26-22-15-7-6-14-21(22)23(24)25-5/h6-7,10,12,14-16H,8-9,11,13,17H2,1-5H3/b19-12-,20-16-