Molecule Identification Common Name 2-(5-Fluoro-3,7,11-trimethyldodeca-2,6,10-trienyl)sulfanylbenzoic acid Definition 2-[(5-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-yl)sulfanyl]benzoic acid belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Based on a literature review very few articles have been published on 2-[(5-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-yl)sulfanyl]benzoic acid. Structure CC(C)=CCCC(C)=CC(F)CC(C)=CCSC1=CC=CC=C1C(O)=O InChI=1S/C22H29FO2S/c1-16(2)8-7-9-17(3)14-19(23)15-18(4)12-13-26-21-11-6-5-10-20(21)22(24)25/h5-6,8,10-12,14,19H,7,9,13,15H2,1-4H3,(H,24,25) Synonyms Value Source 2-[(5-Fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-yl)sulfanyl]benzoate Generator 2-[(5-Fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-yl)sulphanyl]benzoate Generator 2-[(5-Fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-yl)sulphanyl]benzoic acid Generator 2-(5-Fluoro-3,7,11-trimethyldodeca-2,6,10-trienyl)sulfanylbenzoate Generator 2-(5-Fluoro-3,7,11-trimethyldodeca-2,6,10-trienyl)sulphanylbenzoate Generator 2-(5-Fluoro-3,7,11-trimethyldodeca-2,6,10-trienyl)sulphanylbenzoic acid Generator
Chemical Formula C22 H29 FO2 S Average Molecular Weight 376.53 Monoisotopic Molecular Weight 376.187229511 IUPAC Name 2-[(5-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-yl)sulfanyl]benzoic acid Traditional Name 2-[(5-fluoro-3,7,11-trimethyldodeca-2,6,10-trien-1-yl)sulfanyl]benzoic acid CAS Registry Number Not Available SMILES CC(C)=CCCC(C)=CC(F)CC(C)=CCSC1=CC=CC=C1C(O)=O
InChI Identifier InChI=1S/C22H29FO2S/c1-16(2)8-7-9-17(3)14-19(23)15-18(4)12-13-26-21-11-6-5-10-20(21)22(24)25/h5-6,8,10-12,14,19H,7,9,13,15H2,1-4H3,(H,24,25)
InChI Key VJDGOKXQEMTLHD-UHFFFAOYSA-N 
