(2Z)-2-[7-(4,8-dimethyl-5-oxidanyl-non-7-enyl)-7-methyl-oxepan-3-ylidene]ethanenitrile

Systemtic Name: (2Z)-2-[7-(4,8-dimethyl-5-oxidanyl-non-7-enyl)-7-methyl-oxepan-3-ylidene]ethanenitrile Openeye Name: (2Z)-2-[7-(5-hydroxy-4,8-dimethyl-non-7-enyl)-7-methyl-oxepan-3-ylidene]acetonitrile CAS Name: (2Z)-2-[7-(5-hydroxy-4,8-dimethylnon-7-enyl)-7-methyl-3-oxepanylidene]acetonitrile IUPAC Name: (2Z)-2-[7-(5-hydroxy-4,8-dimethylnon-7-enyl)-7-methyloxepan-3-ylidene]acetonitrile Traditional Name: (2Z)-2-[7-(5-hydroxy-4,8-dimethyl-non-7-enyl)-7-methyl-oxepan-3-ylidene]acetonitrile Formula: C20H33NO2 MolecularWeight: 319.48152

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC1(CCCC(=CC#N)CO1)C)C(CC=C(C)C)O

Isomeric SMILES

CC(CCCC1(CCC/C(=C/C#N)/CO1)C)C(CC=C(C)C)O

InChI

InChI=1S/C20H33NO2/c1-16(2)9-10-19(22)17(3)7-5-12-20(4)13-6-8-18(11-14-21)15-23-20/h9,11,17,19,22H,5-8,10,12-13,15H2,1-4H3/b18-11-