[2-(3-methylpentanoyloxy)phenyl] 3-fluoranyl-4-tetradecoxy-benzoate

Systemtic Name: [2-(3-methylpentanoyloxy)phenyl] 3-fluoranyl-4-tetradecoxy-benzoate Openeye Name: [2-(3-methylpentanoyloxy)phenyl] 3-fluoro-4-tetradecoxy-benzoate CAS Name: 3-fluoro-4-tetradecoxybenzoic acid [2-(3-methyl-1-oxopentoxy)phenyl] ester IUPAC Name: [2-(3-methylpentanoyloxy)phenyl] 3-fluoro-4-tetradecoxybenzoate Traditional Name: 3-fluoro-4-myristyloxy-benzoic acid [2-(3-methylpentanoyloxy)phenyl] ester Formula: C33H47FO5 MolecularWeight: 542.721683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=CC=C2OC(=O)CC(C)CC)F

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=CC=C2OC(=O)CC(C)CC)F

InChI

InChI=1S/C33H47FO5/c1-4-6-7-8-9-10-11-12-13-14-15-18-23-37-29-22-21-27(25-28(29)34)33(36)39-31-20-17-16-19-30(31)38-32(35)24-26(3)5-2/h16-17,19-22,25-26H,4-15,18,23-24H2,1-3H3