1-(1-heptyl-4-phenyl-cyclohexa-2,5-dien-1-yl)ethanone

Systemtic Name: 1-(1-heptyl-4-phenyl-cyclohexa-2,5-dien-1-yl)ethanone Openeye Name: 1-(1-heptyl-4-phenyl-cyclohexa-2,5-dien-1-yl)ethanone CAS Name: 1-(1-heptyl-4-phenyl-1-cyclohexa-2,5-dienyl)ethanone IUPAC Name: 1-(1-heptyl-4-phenylcyclohexa-2,5-dien-1-yl)ethanone Traditional Name: 1-(1-heptyl-4-phenyl-cyclohexa-2,5-dien-1-yl)ethanone Formula: C21H28O MolecularWeight: 296.44642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)C(=O)C

Isomeric SMILES

CCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)C(=O)C

InChI

InChI=1S/C21H28O/c1-3-4-5-6-10-15-21(18(2)22)16-13-20(14-17-21)19-11-8-7-9-12-19/h7-9,11-14,16-17,20H,3-6,10,15H2,1-2H3