1-[5,6-bis(fluoranyl)-1-pentoxy-cyclohexa-2,4-dien-1-yl]-2-(4-heptylcyclohexyl)ethanone

Systemtic Name: 1-[5,6-bis(fluoranyl)-1-pentoxy-cyclohexa-2,4-dien-1-yl]-2-(4-heptylcyclohexyl)ethanone Openeye Name: 1-(5,6-difluoro-1-pentoxy-cyclohexa-2,4-dien-1-yl)-2-(4-heptylcyclohexyl)ethanone CAS Name: 1-(5,6-difluoro-1-pentoxy-1-cyclohexa-2,4-dienyl)-2-(4-heptylcyclohexyl)ethanone IUPAC Name: 1-(5,6-difluoro-1-pentoxycyclohexa-2,4-dien-1-yl)-2-(4-heptylcyclohexyl)ethanone Traditional Name: 1-(1-amoxy-5,6-difluoro-cyclohexa-2,4-dien-1-yl)-2-(4-heptylcyclohexyl)ethanone Formula: C26H42F2O2 MolecularWeight: 424.607286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)CC(=O)C2(C=CC=C(C2F)F)OCCCCC

Isomeric SMILES

CCCCCCCC1CCC(CC1)CC(=O)C2(C=CC=C(C2F)F)OCCCCC

InChI

InChI=1S/C26H42F2O2/c1-3-5-7-8-9-12-21-14-16-22(17-15-21)20-24(29)26(30-19-10-6-4-2)18-11-13-23(27)25(26)28/h11,13,18,21-22,25H,3-10,12,14-17,19-20H2,1-2H3