[4-[(3S)-3-methylpentanoyl]oxyphenyl] 3-fluoranyl-4-tetradecoxy-benzoate

Systemtic Name: [4-[(3S)-3-methylpentanoyl]oxyphenyl] 3-fluoranyl-4-tetradecoxy-benzoate Openeye Name: [4-[(3S)-3-methylpentanoyl]oxyphenyl] 3-fluoro-4-tetradecoxy-benzoate CAS Name: 3-fluoro-4-tetradecoxybenzoic acid [4-[(3S)-3-methyl-1-oxopentoxy]phenyl] ester IUPAC Name: [4-[(3S)-3-methylpentanoyl]oxyphenyl] 3-fluoro-4-tetradecoxybenzoate Traditional Name: 3-fluoro-4-myristyloxy-benzoic acid [4-[(3S)-3-methylpentanoyl]oxyphenyl] 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=C(C=C2)OC(=O)CC(C)CC)F

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)OC(=O)C[C@@H](C)CC)F

InChI

InChI=1S/C33H47FO5/c1-4-6-7-8-9-10-11-12-13-14-15-16-23-37-31-22-17-27(25-30(31)34)33(36)39-29-20-18-28(19-21-29)38-32(35)24-26(3)5-2/h17-22,25-26H,4-16,23-24H2,1-3H3/t26-/m0/s1