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

Systemtic Name: [4-[4-(2-chloranyl-3-methyl-butanoyl)oxyphenyl]phenyl] 3-fluoranyl-4-heptyl-benzoate Openeye Name: [4-[4-(2-chloro-3-methyl-butanoyl)oxyphenyl]phenyl] 3-fluoro-4-heptyl-benzoate CAS Name: 3-fluoro-4-heptylbenzoic 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-heptylbenzoate Traditional Name: 3-fluoro-4-heptyl-benzoic acid [4-[4-(2-chloro-3-methyl-butanoyl)oxyphenyl]phenyl] ester Formula: C31H34ClFO4 MolecularWeight: 525.050663

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=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

CCCCCCCC1=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/C31H34ClFO4/c1-4-5-6-7-8-9-24-10-11-25(20-28(24)33)30(34)36-26-16-12-22(13-17-26)23-14-18-27(19-15-23)37-31(35)29(32)21(2)3/h10-21,29H,4-9H2,1-3H3