pentan-2-yl 2-fluoranyl-4-(1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)carbonyloxy-benzoate

Systemtic Name: pentan-2-yl 2-fluoranyl-4-(1-octoxy-4-phenyl-cyclohexa-2,5-dien-1-yl)carbonyloxy-benzoate Openeye Name: 1-methylbutyl 2-fluoro-4-(1-octoxy-4-phenyl-cyclohexa-2,5-diene-1-carbonyl)oxy-benzoate CAS Name: 2-fluoro-4-[(1-octoxy-4-phenyl-1-cyclohexa-2,5-dienyl)-oxomethoxy]benzoic acid pentan-2-yl ester IUPAC Name: pentan-2-yl 2-fluoro-4-(1-octoxy-4-phenylcyclohexa-2,5-diene-1-carbonyl)oxybenzoate Traditional Name: 2-fluoro-4-(1-octoxy-4-phenyl-cyclohexa-2,5-diene-1-carbonyl)oxy-benzoic acid 1-methylbutyl ester Formula: C33H41FO5 MolecularWeight: 536.674043

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)C(=O)OC3=CC(=C(C=C3)C(=O)OC(C)CCC)F

Isomeric SMILES

CCCCCCCCOC1(C=CC(C=C1)C2=CC=CC=C2)C(=O)OC3=CC(=C(C=C3)C(=O)OC(C)CCC)F

InChI

InChI=1S/C33H41FO5/c1-4-6-7-8-9-13-23-37-33(21-19-27(20-22-33)26-15-11-10-12-16-26)32(36)39-28-17-18-29(30(34)24-28)31(35)38-25(3)14-5-2/h10-12,15-22,24-25,27H,4-9,13-14,23H2,1-3H3