3-methyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanyl-benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1SCC=C(C)CCC=C(C)CCC=C(C)C)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1SC/C=C(\C)/CC/C=C(\C)/CCC=C(C)C)C(=O)O

InChI

InChI=1S/C23H32O2S/c1-17(2)9-6-10-18(3)11-7-12-19(4)15-16-26-22-20(5)13-8-14-21(22)23(24)25/h8-9,11,13-15H,6-7,10,12,16H2,1-5H3,(H,24,25)/b18-11+,19-15+