1-hexyl-4-[(1E,5E)-6-(4-pentylcyclohexyl)hexa-1,5-dien-3-ynyl]cyclohexane

Systemtic Name: 1-hexyl-4-[(1E,5E)-6-(4-pentylcyclohexyl)hexa-1,5-dien-3-ynyl]cyclohexane Openeye Name: 1-hexyl-4-[(1E,5E)-6-(4-pentylcyclohexyl)hexa-1,5-dien-3-ynyl]cyclohexane CAS Name: 1-hexyl-4-[(1E,5E)-6-(4-pentylcyclohexyl)hexa-1,5-dien-3-ynyl]cyclohexane IUPAC Name: 1-hexyl-4-[(1E,5E)-6-(4-pentylcyclohexyl)hexa-1,5-dien-3-ynyl]cyclohexane Traditional Name: 1-amyl-4-[(1E,5E)-6-(4-hexylcyclohexyl)hexa-1,5-dien-3-ynyl]cyclohexane Formula: C29H48 MolecularWeight: 396.69142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CCC(CC1)C=CC#CC=CC2CCC(CC2)CCCCC

Isomeric SMILES

CCCCCCC1CCC(CC1)/C=C/C#C/C=C/C2CCC(CC2)CCCCC

InChI

InChI=1S/C29H48/c1-3-5-7-11-15-27-22-24-29(25-23-27)17-13-9-8-12-16-28-20-18-26(19-21-28)14-10-6-4-2/h12-13,16-17,26-29H,3-7,10-11,14-15,18-25H2,1-2H3/b16-12+,17-13+