[4-[4-(2-chloranyl-3-methyl-butanoyl)oxyphenyl]phenyl] 3-fluoranyl-4-heptoxy-benzoate

Systemtic Name: [4-[4-(2-chloranyl-3-methyl-butanoyl)oxyphenyl]phenyl] 3-fluoranyl-4-heptoxy-benzoate Openeye Name: [4-[4-(2-chloro-3-methyl-butanoyl)oxyphenyl]phenyl] 3-fluoro-4-heptoxy-benzoate CAS Name: 3-fluoro-4-heptoxybenzoic acid [4-[4-(2-chloro-3-methyl-1-oxobutoxy)phenyl]phenyl] ester IUPAC Name: [4-[4-(2-chloro-3-methylbutanoyl)oxyphenyl]phenyl] 3-fluoro-4-heptoxybenzoate Traditional Name: 3-fluoro-4-heptoxy-benzoic acid [4-[4-(2-chloro-3-methyl-butanoyl)oxyphenyl]phenyl] ester Formula: C31H34ClFO5 MolecularWeight: 541.050063

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)C(C(C)C)Cl)F

Isomeric SMILES

CCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)C(C(C)C)Cl)F

InChI

InChI=1S/C31H34ClFO5/c1-4-5-6-7-8-19-36-28-18-13-24(20-27(28)33)30(34)37-25-14-9-22(10-15-25)23-11-16-26(17-12-23)38-31(35)29(32)21(2)3/h9-18,20-21,29H,4-8,19H2,1-3H3