[1-cyano-1-(4-methoxyphenyl)nonan-3-yl] 4-methylbenzenesulfonate

Systemtic Name: [1-cyano-1-(4-methoxyphenyl)nonan-3-yl] 4-methylbenzenesulfonate Openeye Name: 1-[2-cyano-2-(4-methoxyphenyl)ethyl]heptyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-cyano-1-(4-methoxyphenyl)nonan-3-yl] ester IUPAC Name: [1-cyano-1-(4-methoxyphenyl)nonan-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1-[2-cyano-2-(4-methoxyphenyl)ethyl]heptyl ester Formula: C24H31NO4S MolecularWeight: 429.57224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC(C#N)C1=CC=C(C=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCC(CC(C#N)C1=CC=C(C=C1)OC)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C24H31NO4S/c1-4-5-6-7-8-23(29-30(26,27)24-15-9-19(2)10-16-24)17-21(18-25)20-11-13-22(28-3)14-12-20/h9-16,21,23H,4-8,17H2,1-3H3