3,7-dimethyloct-6-enenitrile; 6-methyl-2-(2-oxidanylideneethyl)hept-5-enenitrile

Systemtic Name: 3,7-dimethyloct-6-enenitrile; 6-methyl-2-(2-oxidanylideneethyl)hept-5-enenitrile Openeye Name: 3,7-dimethyloct-6-enenitrile; 6-methyl-2-(2-oxoethyl)hept-5-enenitrile CAS Name: 3,7-dimethyl-6-octenenitrile; 6-methyl-2-(2-oxoethyl)-5-heptenenitrile IUPAC Name: 3,7-dimethyloct-6-enenitrile; 6-methyl-2-(2-oxoethyl)hept-5-enenitrile Traditional Name: 3,7-dimethyloct-6-enenitrile; 2-(2-ketoethyl)-6-methyl-hept-5-enenitrile Formula: C20H32N2O MolecularWeight: 316.48088

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC=C(C)C)CC#N.CC(=CCCC(CC=O)C#N)C

Isomeric SMILES

CC(CCC=C(C)C)CC#N.CC(=CCCC(CC=O)C#N)C

InChI

InChI=1S/C10H15NO.C10H17N/c1-9(2)4-3-5-10(8-11)6-7-12;1-9(2)5-4-6-10(3)7-8-11/h4,7,10H,3,5-6H2,1-2H3;5,10H,4,6-7H2,1-3H3