2-methylbutyl 2-fluoranyl-3-[4-(4-octoxyphenyl)carbonyloxyphenyl]benzoate

Systemtic Name: 2-methylbutyl 2-fluoranyl-3-[4-(4-octoxyphenyl)carbonyloxyphenyl]benzoate Openeye Name: 2-methylbutyl 2-fluoro-3-[4-(4-octoxybenzoyl)oxyphenyl]benzoate CAS Name: 2-fluoro-3-[4-[(4-octoxyphenyl)-oxomethoxy]phenyl]benzoic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl 2-fluoro-3-[4-(4-octoxybenzoyl)oxyphenyl]benzoate Traditional Name: 2-fluoro-3-[4-(4-octoxybenzoyl)oxyphenyl]benzoic acid 2-methylbutyl ester Formula: C33H39FO5 MolecularWeight: 534.658163

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=C(C(=CC=C3)C(=O)OCC(C)CC)F

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=C(C(=CC=C3)C(=O)OCC(C)CC)F

InChI

InChI=1S/C33H39FO5/c1-4-6-7-8-9-10-22-37-27-18-16-26(17-19-27)32(35)39-28-20-14-25(15-21-28)29-12-11-13-30(31(29)34)33(36)38-23-24(3)5-2/h11-21,24H,4-10,22-23H2,1-3H3