4-(4-decanoyloxyphenyl)-3-[4-(4-ethylhexan-2-yloxycarbonyl)-3-fluoranyl-phenyl]benzoate

Systemtic Name: 4-(4-decanoyloxyphenyl)-3-[4-(4-ethylhexan-2-yloxycarbonyl)-3-fluoranyl-phenyl]benzoate Openeye Name: 4-(4-decanoyloxyphenyl)-3-[4-(3-ethyl-1-methyl-pentoxy)carbonyl-3-fluoro-phenyl]benzoate CAS Name: 3-[4-[4-ethylhexan-2-yloxy(oxo)methyl]-3-fluorophenyl]-4-[4-(1-oxodecoxy)phenyl]benzoate IUPAC Name: 4-(4-decanoyloxyphenyl)-3-[4-(4-ethylhexan-2-yloxycarbonyl)-3-fluorophenyl]benzoate Traditional Name: 4-(4-capryloxyphenyl)-3-[4-(3-ethyl-1-methyl-pentoxy)carbonyl-3-fluoro-phenyl]benzoate Formula: C38H46FO6- MolecularWeight: 617.766643

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)OC1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)[O-])C3=CC(=C(C=C3)C(=O)OC(C)CC(CC)CC)F

Isomeric SMILES

CCCCCCCCCC(=O)OC1=CC=C(C=C1)C2=C(C=C(C=C2)C(=O)[O-])C3=CC(=C(C=C3)C(=O)OC(C)CC(CC)CC)F

InChI

InChI=1S/C38H47FO6/c1-5-8-9-10-11-12-13-14-36(40)45-31-19-15-28(16-20-31)32-21-18-30(37(41)42)24-34(32)29-17-22-33(35(39)25-29)38(43)44-26(4)23-27(6-2)7-3/h15-22,24-27H,5-14,23H2,1-4H3,(H,41,42)/p-1