(4-cyano-4-nonyl-cyclohexyl) 4-heptoxybenzoate

Systemtic Name: (4-cyano-4-nonyl-cyclohexyl) 4-heptoxybenzoate Openeye Name: (4-cyano-4-nonyl-cyclohexyl) 4-heptoxybenzoate CAS Name: 4-heptoxybenzoic acid (4-cyano-4-nonylcyclohexyl) ester IUPAC Name: (4-cyano-4-nonylcyclohexyl) 4-heptoxybenzoate Traditional Name: 4-heptoxybenzoic acid (4-cyano-4-nonyl-cyclohexyl) ester Formula: C30H47NO3 MolecularWeight: 469.69908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1(CCC(CC1)OC(=O)C2=CC=C(C=C2)OCCCCCCC)C#N

Isomeric SMILES

CCCCCCCCCC1(CCC(CC1)OC(=O)C2=CC=C(C=C2)OCCCCCCC)C#N

InChI

InChI=1S/C30H47NO3/c1-3-5-7-9-10-11-13-21-30(25-31)22-19-28(20-23-30)34-29(32)26-15-17-27(18-16-26)33-24-14-12-8-6-4-2/h15-18,28H,3-14,19-24H2,1-2H3