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

Systemtic Name: 1-heptyl-4-[(1E,5E)-6-(4-pentylcyclohexyl)hexa-1,5-dien-3-ynyl]cyclohexane Openeye Name: 1-heptyl-4-[(1E,5E)-6-(4-pentylcyclohexyl)hexa-1,5-dien-3-ynyl]cyclohexane CAS Name: 1-heptyl-4-[(1E,5E)-6-(4-pentylcyclohexyl)hexa-1,5-dien-3-ynyl]cyclohexane IUPAC Name: 1-heptyl-4-[(1E,5E)-6-(4-pentylcyclohexyl)hexa-1,5-dien-3-ynyl]cyclohexane Traditional Name: 1-amyl-4-[(1E,5E)-6-(4-heptylcyclohexyl)hexa-1,5-dien-3-ynyl]cyclohexane Formula: C30H50 MolecularWeight: 410.718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCC1CCC(CC1)/C=C/C#C/C=C/C2CCC(CC2)CCCCC

InChI

InChI=1S/C30H50/c1-3-5-7-8-12-16-28-23-25-30(26-24-28)18-14-10-9-13-17-29-21-19-27(20-22-29)15-11-6-4-2/h13-14,17-18,27-30H,3-8,11-12,15-16,19-26H2,1-2H3/b17-13+,18-14+