(Z)-4,4,7-trimethyl-5-oxidanylidene-9-phenyl-tridec-8-enenitrile

Systemtic Name: (Z)-4,4,7-trimethyl-5-oxidanylidene-9-phenyl-tridec-8-enenitrile Openeye Name: (Z)-4,4,7-trimethyl-5-oxo-9-phenyl-tridec-8-enenitrile CAS Name: (Z)-4,4,7-trimethyl-5-oxo-9-phenyl-8-tridecenenitrile IUPAC Name: (Z)-4,4,7-trimethyl-5-oxo-9-phenyltridec-8-enenitrile Traditional Name: (Z)-5-keto-4,4,7-trimethyl-9-phenyl-tridec-8-enenitrile Formula: C22H31NO MolecularWeight: 325.48764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=CC(C)CC(=O)C(C)(C)CCC#N)C1=CC=CC=C1

Isomeric SMILES

CCCC/C(=C/C(C)CC(=O)C(C)(C)CCC#N)/C1=CC=CC=C1

InChI

InChI=1S/C22H31NO/c1-5-6-11-20(19-12-8-7-9-13-19)16-18(2)17-21(24)22(3,4)14-10-15-23/h7-9,12-13,16,18H,5-6,10-11,14,17H2,1-4H3/b20-16-