1-butyl-4-[(E)-6-(4-heptylcyclohexyl)hex-3-en-1,5-diynyl]cyclohexane

Systemtic Name: 1-butyl-4-[(E)-6-(4-heptylcyclohexyl)hex-3-en-1,5-diynyl]cyclohexane Openeye Name: 1-butyl-4-[(E)-6-(4-heptylcyclohexyl)hex-3-en-1,5-diynyl]cyclohexane CAS Name: 1-butyl-4-[(E)-6-(4-heptylcyclohexyl)hex-3-en-1,5-diynyl]cyclohexane IUPAC Name: 1-butyl-4-[(E)-6-(4-heptylcyclohexyl)hex-3-en-1,5-diynyl]cyclohexane Traditional Name: 1-butyl-4-[(E)-6-(4-heptylcyclohexyl)hex-3-en-1,5-diynyl]cyclohexane Formula: C29H46 MolecularWeight: 394.67554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)C#CC=CC#CC2CCC(CC2)CCCC

Isomeric SMILES

CCCCCCCC1CCC(CC1)C#C/C=C/C#CC2CCC(CC2)CCCC

InChI

InChI=1S/C29H46/c1-3-5-7-8-11-15-27-22-24-29(25-23-27)17-13-10-9-12-16-28-20-18-26(19-21-28)14-6-4-2/h9-10,26-29H,3-8,11,14-15,18-25H2,1-2H3/b10-9+