phenyl 2-butanoyloxy-3-fluoranyl-5-methyl-4-tetradecoxy-benzoate

Systemtic Name: phenyl 2-butanoyloxy-3-fluoranyl-5-methyl-4-tetradecoxy-benzoate Openeye Name: phenyl 2-butanoyloxy-3-fluoro-5-methyl-4-tetradecoxy-benzoate CAS Name: 3-fluoro-5-methyl-2-(1-oxobutoxy)-4-tetradecoxybenzoic acid phenyl ester IUPAC Name: phenyl 2-butanoyloxy-3-fluoro-5-methyl-4-tetradecoxybenzoate Traditional Name: 2-butyryloxy-3-fluoro-5-methyl-4-myristyloxy-benzoic acid phenyl ester Formula: C32H45FO5 MolecularWeight: 528.695103

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C(=C1F)OC(=O)CCC)C(=O)OC2=CC=CC=C2)C

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C(=C1F)OC(=O)CCC)C(=O)OC2=CC=CC=C2)C

InChI

InChI=1S/C32H45FO5/c1-4-6-7-8-9-10-11-12-13-14-15-19-23-36-30-25(3)24-27(31(29(30)33)38-28(34)20-5-2)32(35)37-26-21-17-16-18-22-26/h16-18,21-22,24H,4-15,19-20,23H2,1-3H3