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3-heptyl-6-[3-(4-pentylcyclohexyl)propoxy]benzene-1,2-dicarbonitrile
3-heptyl-6-[3-(4-pentylcyclohexyl)propoxy]benzene-1,2-dicarbonitrile
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Descriptors Computed from Structure
Canonical SMILES:
CCCCCCCC1=C(C(=C(C=C1)OCCCC2CCC(CC2)CCCCC)C#N)C#N
Isomeric SMILES
CCCCCCCC1=C(C(=C(C=C1)OCCCC2CCC(CC2)CCCCC)C#N)C#N
InChI
InChI=1S/C29H44N2O/c1-3-5-7-8-10-14-26-19-20-29(28(23-31)27(26)22-30)32-21-11-13-25-17-15-24(16-18-25)12-9-6-4-2/h19-20,24-25H,3-18,21H2,1-2H3
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