[1-cyano-1-[4-(4-methoxyphenyl)phenyl]nonyl] 4-methylbenzenesulfonate

Systemtic Name: [1-cyano-1-[4-(4-methoxyphenyl)phenyl]nonyl] 4-methylbenzenesulfonate Openeye Name: [1-cyano-1-[4-(4-methoxyphenyl)phenyl]nonyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-cyano-1-[4-(4-methoxyphenyl)phenyl]nonyl] ester IUPAC Name: [1-cyano-1-[4-(4-methoxyphenyl)phenyl]nonyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-cyano-1-[4-(4-methoxyphenyl)phenyl]nonyl] ester Formula: C30H35NO4S MolecularWeight: 505.6682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCC(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/c1-4-5-6-7-8-9-22-30(23-31,35-36(32,33)29-20-10-24(2)11-21-29)27-16-12-25(13-17-27)26-14-18-28(34-3)19-15-26/h10-21H,4-9,22H2,1-3H3