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

Systemtic Name: 1-heptyl-4-[(1E,5E)-6-(4-hexylcyclohexyl)hexa-1,5-dien-3-ynyl]cyclohexane Openeye Name: 1-heptyl-4-[(1E,5E)-6-(4-hexylcyclohexyl)hexa-1,5-dien-3-ynyl]cyclohexane CAS Name: 1-heptyl-4-[(1E,5E)-6-(4-hexylcyclohexyl)hexa-1,5-dien-3-ynyl]cyclohexane IUPAC Name: 1-heptyl-4-[(1E,5E)-6-(4-hexylcyclohexyl)hexa-1,5-dien-3-ynyl]cyclohexane Traditional Name: 1-heptyl-4-[(1E,5E)-6-(4-hexylcyclohexyl)hexa-1,5-dien-3-ynyl]cyclohexane Formula: C31H52 MolecularWeight: 424.74458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H52/c1-3-5-7-9-13-17-29-24-26-31(27-25-29)19-15-11-10-14-18-30-22-20-28(21-23-30)16-12-8-6-4-2/h14-15,18-19,28-31H,3-9,12-13,16-17,20-27H2,1-2H3/b18-14+,19-15+