4-[(E)-3-(4-octadecoxyphenyl)-3-oxidanylidene-prop-1-enyl]benzenecarbonitrile

Systemtic Name: 4-[(E)-3-(4-octadecoxyphenyl)-3-oxidanylidene-prop-1-enyl]benzenecarbonitrile Openeye Name: 4-[(E)-3-(4-octadecoxyphenyl)-3-oxo-prop-1-enyl]benzonitrile CAS Name: 4-[(E)-3-(4-octadecoxyphenyl)-3-oxoprop-1-enyl]benzonitrile IUPAC Name: 4-[(E)-3-(4-octadecoxyphenyl)-3-oxoprop-1-enyl]benzonitrile Traditional Name: 4-[(E)-3-keto-3-(4-stearyloxyphenyl)prop-1-enyl]benzonitrile Formula: C34H47NO2 MolecularWeight: 501.74248

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)C#N

InChI

InChI=1S/C34H47NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-28-37-33-25-23-32(24-26-33)34(36)27-22-30-18-20-31(29-35)21-19-30/h18-27H,2-17,28H2,1H3/b27-22+