[(3E,7S,8E)-10-cyano-10-(1-ethoxyethoxy)-4-methyl-7-propan-2-yl-deca-3,8-dienyl] 4-methylbenzenesulfonate

Systemtic Name: [(3E,7S,8E)-10-cyano-10-(1-ethoxyethoxy)-4-methyl-7-propan-2-yl-deca-3,8-dienyl] 4-methylbenzenesulfonate Openeye Name: [(3E,7S,8E)-10-cyano-10-(1-ethoxyethoxy)-7-isopropyl-4-methyl-deca-3,8-dienyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(3E,7S,8E)-10-cyano-10-(1-ethoxyethoxy)-4-methyl-7-propan-2-yldeca-3,8-dienyl] ester IUPAC Name: [(3E,7S,8E)-10-cyano-10-(1-ethoxyethoxy)-4-methyl-7-propan-2-yldeca-3,8-dienyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(3E,7S,8E)-10-cyano-10-(1-ethoxyethoxy)-7-isopropyl-4-methyl-deca-3,8-dienyl] ester Formula: C26H39NO5S MolecularWeight: 477.65656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C)OC(C=CC(CCC(=CCCOS(=O)(=O)C1=CC=C(C=C1)C)C)C(C)C)C#N

Isomeric SMILES

CCOC(C)OC(/C=C/[C@@H](CC/C(=C/CCOS(=O)(=O)C1=CC=C(C=C1)C)/C)C(C)C)C#N

InChI

InChI=1S/C26H39NO5S/c1-7-30-23(6)32-25(19-27)15-14-24(20(2)3)13-10-21(4)9-8-18-31-33(28,29)26-16-11-22(5)12-17-26/h9,11-12,14-17,20,23-25H,7-8,10,13,18H2,1-6H3/b15-14+,21-9+/t23?,24-,25?/m1/s1