(4-nonan-5-yloxycarbonylphenyl) 4-decanoyloxy-3-fluoranyl-benzoate

Systemtic Name: (4-nonan-5-yloxycarbonylphenyl) 4-decanoyloxy-3-fluoranyl-benzoate Openeye Name: [4-(1-butylpentoxycarbonyl)phenyl] 4-decanoyloxy-3-fluoro-benzoate CAS Name: 3-fluoro-4-(1-oxodecoxy)benzoic acid [4-[nonan-5-yloxy(oxo)methyl]phenyl] ester IUPAC Name: (4-nonan-5-yloxycarbonylphenyl) 4-decanoyloxy-3-fluorobenzoate Traditional Name: 4-capryloxy-3-fluoro-benzoic acid [4-(1-butylpentoxycarbonyl)phenyl] ester Formula: C33H45FO6 MolecularWeight: 556.705203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H45FO6/c1-4-7-10-11-12-13-14-17-31(35)40-30-23-20-26(24-29(30)34)33(37)39-28-21-18-25(19-22-28)32(36)38-27(15-8-5-2)16-9-6-3/h18-24,27H,4-17H2,1-3H3