2-(3-heptylcyclohexa-1,3-dien-1-yl)ethynylbenzene

Systemtic Name: 2-(3-heptylcyclohexa-1,3-dien-1-yl)ethynylbenzene Openeye Name: 2-(3-heptylcyclohexa-1,3-dien-1-yl)ethynylbenzene CAS Name: 2-(3-heptyl-1-cyclohexa-1,3-dienyl)ethynylbenzene IUPAC Name: 2-(3-heptylcyclohexa-1,3-dien-1-yl)ethynylbenzene Traditional Name: 2-(3-heptylcyclohexa-1,3-dien-1-yl)ethynylbenzene Formula: C21H26 MolecularWeight: 278.43114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CCCC(=C1)C#CC2=CC=CC=C2

Isomeric SMILES

CCCCCCCC1=CCCC(=C1)C#CC2=CC=CC=C2

InChI

InChI=1S/C21H26/c1-2-3-4-5-7-13-20-14-10-15-21(18-20)17-16-19-11-8-6-9-12-19/h6,8-9,11-12,14,18H,2-5,7,10,13,15H2,1H3