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

Systemtic Name: [1-cyano-1-[4-(4-methoxyphenyl)phenyl]nonan-3-yl] 4-methylbenzenesulfonate Openeye Name: 1-[2-cyano-2-[4-(4-methoxyphenyl)phenyl]ethyl]heptyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-cyano-1-[4-(4-methoxyphenyl)phenyl]nonan-3-yl] ester IUPAC Name: [1-cyano-1-[4-(4-methoxyphenyl)phenyl]nonan-3-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1-[2-cyano-2-[4-(4-methoxyphenyl)phenyl]ethyl]heptyl ester Formula: C30H35NO4S MolecularWeight: 505.6682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC(C#N)C1=CC=C(C=C1)C2=CC=C(C=C2)OC)OS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCCCC(CC(C#N)C1=CC=C(C=C1)C2=CC=C(C=C2)OC)OS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C30H35NO4S/c1-4-5-6-7-8-29(35-36(32,33)30-19-9-23(2)10-20-30)21-27(22-31)26-13-11-24(12-14-26)25-15-17-28(34-3)18-16-25/h9-20,27,29H,4-8,21H2,1-3H3