[(5E)-3-ethynyl-6,10-dimethyl-undeca-5,9-dienyl] 4-methylbenzenesulfonate

Systemtic Name: [(5E)-3-ethynyl-6,10-dimethyl-undeca-5,9-dienyl] 4-methylbenzenesulfonate Openeye Name: [(5E)-3-ethynyl-6,10-dimethyl-undeca-5,9-dienyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(5E)-3-ethynyl-6,10-dimethylundeca-5,9-dienyl] ester IUPAC Name: [(5E)-3-ethynyl-6,10-dimethylundeca-5,9-dienyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(5E)-3-ethynyl-6,10-dimethyl-undeca-5,9-dienyl] ester Formula: C22H30O3S MolecularWeight: 374.5368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCC(CC=C(C)CCC=C(C)C)C#C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCC(C/C=C(\C)/CCC=C(C)C)C#C

InChI

InChI=1S/C22H30O3S/c1-6-21(13-10-19(4)9-7-8-18(2)3)16-17-25-26(23,24)22-14-11-20(5)12-15-22/h1,8,10-12,14-15,21H,7,9,13,16-17H2,2-5H3/b19-10+