Molecule Identification Common Name 2-(3,7,11-Trimethyldodeca-2,6,10-trienylsulfanyl)benzoic acid Definition 2-[(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-[(3,7,11-trimethyldodeca-2,6,10-trien-1-yl)sulfanyl]benzoic acid. Structure CC(C)=CCCC(C)=CCCC(C)=CCSC1=CC=CC=C1C(O)=O InChI=1S/C22H30O2S/c1-17(2)9-7-10-18(3)11-8-12-19(4)15-16-25-21-14-6-5-13-20(21)22(23)24/h5-6,9,11,13-15H,7-8,10,12,16H2,1-4H3,(H,23,24) Synonyms Value Source 2-[(3,7,11-Trimethyldodeca-2,6,10-trien-1-yl)sulfanyl]benzoate Generator 2-[(3,7,11-Trimethyldodeca-2,6,10-trien-1-yl)sulphanyl]benzoate Generator 2-[(3,7,11-Trimethyldodeca-2,6,10-trien-1-yl)sulphanyl]benzoic acid Generator 2-(3,7,11-Trimethyldodeca-2,6,10-trienylsulfanyl)benzoate Generator 2-(3,7,11-Trimethyldodeca-2,6,10-trienylsulphanyl)benzoate Generator 2-(3,7,11-Trimethyldodeca-2,6,10-trienylsulphanyl)benzoic acid Generator
Chemical Formula C22 H30 O2 S Average Molecular Weight 358.54 Monoisotopic Molecular Weight 358.19665138 IUPAC Name 2-[(3,7,11-trimethyldodeca-2,6,10-trien-1-yl)sulfanyl]benzoic acid Traditional Name 2-[(3,7,11-trimethyldodeca-2,6,10-trien-1-yl)sulfanyl]benzoic acid CAS Registry Number Not Available SMILES CC(C)=CCCC(C)=CCCC(C)=CCSC1=CC=CC=C1C(O)=O
InChI Identifier InChI=1S/C22H30O2S/c1-17(2)9-7-10-18(3)11-8-12-19(4)15-16-25-21-14-6-5-13-20(21)22(23)24/h5-6,9,11,13-15H,7-8,10,12,16H2,1-4H3,(H,23,24)
InChI Key WUILNKCFCLNXOK-UHFFFAOYSA-N 
