3-[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylcyclohexane-1-carboxylic acid

Systemtic Name: 3-[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylcyclohexane-1-carboxylic acid Openeye Name: 3-[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylcyclohexanecarboxylic acid CAS Name: 3-[[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]thio]-1-cyclohexanecarboxylic acid IUPAC Name: 3-[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylcyclohexane-1-carboxylic acid Traditional Name: 3-[[(2Z,6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]thio]cyclohexanecarboxylic acid Formula: C22H36O2S MolecularWeight: 364.58504

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCCC(=CCSC1CCCC(C1)C(=O)O)C)C)C

Isomeric SMILES

CC(=CCC/C(=C\CC/C(=C\CSC1CCCC(C1)C(=O)O)/C)/C)C

InChI

InChI=1S/C22H36O2S/c1-17(2)8-5-9-18(3)10-6-11-19(4)14-15-25-21-13-7-12-20(16-21)22(23)24/h8,10,14,20-21H,5-7,9,11-13,15-16H2,1-4H3,(H,23,24)/b18-10-,19-14-