[(3E,7S,8E)-4-methyl-10-oxidanylidene-7-propan-2-yl-deca-3,8-dienyl] 4-methylbenzenesulfonate

Systemtic Name: [(3E,7S,8E)-4-methyl-10-oxidanylidene-7-propan-2-yl-deca-3,8-dienyl] 4-methylbenzenesulfonate Openeye Name: [(3E,7S,8E)-7-isopropyl-4-methyl-10-oxo-deca-3,8-dienyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(3E,7S,8E)-4-methyl-10-oxo-7-propan-2-yldeca-3,8-dienyl] ester IUPAC Name: [(3E,7S,8E)-4-methyl-10-oxo-7-propan-2-yldeca-3,8-dienyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(3E,7S,8E)-7-isopropyl-10-keto-4-methyl-deca-3,8-dienyl] ester Formula: C21H30O4S MolecularWeight: 378.5255

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC/C=C(\C)/CC[C@H](/C=C/C=O)C(C)C

InChI

InChI=1S/C21H30O4S/c1-17(2)20(8-5-15-22)12-9-18(3)7-6-16-25-26(23,24)21-13-10-19(4)11-14-21/h5,7-8,10-11,13-15,17,20H,6,9,12,16H2,1-4H3/b8-5+,18-7+/t20-/m0/s1