3-methylbutyl 4-(4-decanoyloxyphenyl)carbonyloxy-2-fluoranyl-benzoate

Systemtic Name: 3-methylbutyl 4-(4-decanoyloxyphenyl)carbonyloxy-2-fluoranyl-benzoate Openeye Name: isopentyl 4-(4-decanoyloxybenzoyl)oxy-2-fluoro-benzoate CAS Name: 2-fluoro-4-[oxo-[4-(1-oxodecoxy)phenyl]methoxy]benzoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 4-(4-decanoyloxybenzoyl)oxy-2-fluorobenzoate Traditional Name: 4-(4-capryloxybenzoyl)oxy-2-fluoro-benzoic acid isoamyl ester Formula: C29H37FO6 MolecularWeight: 500.598883

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)OC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)C(=O)OCCC(C)C)F

Isomeric SMILES

CCCCCCCCCC(=O)OC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2)C(=O)OCCC(C)C)F

InChI

InChI=1S/C29H37FO6/c1-4-5-6-7-8-9-10-11-27(31)35-23-14-12-22(13-15-23)28(32)36-24-16-17-25(26(30)20-24)29(33)34-19-18-21(2)3/h12-17,20-21H,4-11,18-19H2,1-3H3