2-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trienyl]sulfanylbenzoic acid

Systemtic Name: 2-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trienyl]sulfanylbenzoic acid Openeye Name: 2-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trienyl]sulfanylbenzoic acid CAS Name: 2-[[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trienyl]thio]benzoic acid IUPAC Name: 2-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trienyl]sulfanylbenzoic acid Traditional Name: 2-[[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trienyl]thio]benzoic acid Formula: C21H28O2S MolecularWeight: 344.51082

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCCC(=CSC1=CC=CC=C1C(=O)O)C)C)C

Isomeric SMILES

CC(=CCC/C(=C/CC/C(=C/SC1=CC=CC=C1C(=O)O)/C)/C)C

InChI

InChI=1S/C21H28O2S/c1-16(2)9-7-10-17(3)11-8-12-18(4)15-24-20-14-6-5-13-19(20)21(22)23/h5-6,9,11,13-15H,7-8,10,12H2,1-4H3,(H,22,23)/b17-11+,18-15+