4-(1-butoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)-1-nonyl-cyclohexane-1-carbonitrile

Systemtic Name: 4-(1-butoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)-1-nonyl-cyclohexane-1-carbonitrile Openeye Name: 4-(1-butoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)-1-nonyl-cyclohexanecarbonitrile CAS Name: 4-(1-butoxy-4-phenyl-1-cyclohexa-2,5-dienyl)-1-nonyl-1-cyclohexanecarbonitrile IUPAC Name: 4-(1-butoxy-4-phenylcyclohexa-2,5-dien-1-yl)-1-nonylcyclohexane-1-carbonitrile Traditional Name: 4-(1-butoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)-1-nonyl-cyclohexanecarbonitrile Formula: C32H47NO MolecularWeight: 461.72168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1(CCC(CC1)C2(C=CC(C=C2)C3=CC=CC=C3)OCCCC)C#N

Isomeric SMILES

CCCCCCCCCC1(CCC(CC1)C2(C=CC(C=C2)C3=CC=CC=C3)OCCCC)C#N

InChI

InChI=1S/C32H47NO/c1-3-5-7-8-9-10-14-21-31(27-33)22-19-30(20-23-31)32(34-26-6-4-2)24-17-29(18-25-32)28-15-12-11-13-16-28/h11-13,15-18,24-25,29-30H,3-10,14,19-23,26H2,1-2H3