1-[2-fluoranyl-1-(8-methyldecoxy)-4-phenyl-cyclohexa-2,5-dien-1-yl]dodecan-1-one

Systemtic Name: 1-[2-fluoranyl-1-(8-methyldecoxy)-4-phenyl-cyclohexa-2,5-dien-1-yl]dodecan-1-one Openeye Name: 1-[2-fluoro-1-(8-methyldecoxy)-4-phenyl-cyclohexa-2,5-dien-1-yl]dodecan-1-one CAS Name: 1-[2-fluoro-1-(8-methyldecoxy)-4-phenyl-1-cyclohexa-2,5-dienyl]-1-dodecanone IUPAC Name: 1-[2-fluoro-1-(8-methyldecoxy)-4-phenylcyclohexa-2,5-dien-1-yl]dodecan-1-one Traditional Name: 1-[2-fluoro-1-(8-methyldecoxy)-4-phenyl-cyclohexa-2,5-dien-1-yl]dodecan-1-one Formula: C35H55FO2 MolecularWeight: 526.808403

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C1(C=CC(C=C1F)C2=CC=CC=C2)OCCCCCCCC(C)CC

Isomeric SMILES

CCCCCCCCCCCC(=O)C1(C=CC(C=C1F)C2=CC=CC=C2)OCCCCCCCC(C)CC

InChI

InChI=1S/C35H55FO2/c1-4-6-7-8-9-10-11-14-20-25-34(37)35(38-28-21-15-12-13-17-22-30(3)5-2)27-26-32(29-33(35)36)31-23-18-16-19-24-31/h16,18-19,23-24,26-27,29-30,32H,4-15,17,20-22,25,28H2,1-3H3