6-octoxy-3-phenyl-cyclohexa-1,4-diene-1-carbonitrile

Systemtic Name: 6-octoxy-3-phenyl-cyclohexa-1,4-diene-1-carbonitrile Openeye Name: 6-octoxy-3-phenyl-cyclohexa-1,4-diene-1-carbonitrile CAS Name: 6-octoxy-3-phenyl-1-cyclohexa-1,4-dienecarbonitrile IUPAC Name: 6-octoxy-3-phenylcyclohexa-1,4-diene-1-carbonitrile Traditional Name: 6-octoxy-3-phenyl-cyclohexa-1,4-diene-1-carbonitrile Formula: C21H27NO MolecularWeight: 309.44518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1C=CC(C=C1C#N)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCOC1C=CC(C=C1C#N)C2=CC=CC=C2

InChI

InChI=1S/C21H27NO/c1-2-3-4-5-6-10-15-23-21-14-13-19(16-20(21)17-22)18-11-8-7-9-12-18/h7-9,11-14,16,19,21H,2-6,10,15H2,1H3