[diethylamino-[5-methyl-2-(6-methylhept-5-en-2-yl)phenyl]methyl] 4-methylbenzenesulfonate

Systemtic Name: [diethylamino-[5-methyl-2-(6-methylhept-5-en-2-yl)phenyl]methyl] 4-methylbenzenesulfonate Openeye Name: [diethylamino-[2-(1,5-dimethylhex-4-enyl)-5-methyl-phenyl]methyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [diethylamino-[5-methyl-2-(6-methylhept-5-en-2-yl)phenyl]methyl] ester IUPAC Name: [diethylamino-[5-methyl-2-(6-methylhept-5-en-2-yl)phenyl]methyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [diethylamino-[2-(1,5-dimethylhex-4-enyl)-5-methyl-phenyl]methyl] ester Formula: C27H39NO3S MolecularWeight: 457.66846

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(C1=C(C=CC(=C1)C)C(C)CCC=C(C)C)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCN(CC)C(C1=C(C=CC(=C1)C)C(C)CCC=C(C)C)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C27H39NO3S/c1-8-28(9-2)27(31-32(29,30)24-16-13-21(5)14-17-24)26-19-22(6)15-18-25(26)23(7)12-10-11-20(3)4/h11,13-19,23,27H,8-10,12H2,1-7H3