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

Systemtic Name: [4-[4-(2-chloranyl-3-methyl-butanoyl)oxyphenyl]phenyl] 4-decyl-3-fluoranyl-benzoate Openeye Name: [4-[4-(2-chloro-3-methyl-butanoyl)oxyphenyl]phenyl] 4-decyl-3-fluoro-benzoate CAS Name: 4-decyl-3-fluorobenzoic acid [4-[4-(2-chloro-3-methyl-1-oxobutoxy)phenyl]phenyl] ester IUPAC Name: [4-[4-(2-chloro-3-methylbutanoyl)oxyphenyl]phenyl] 4-decyl-3-fluorobenzoate Traditional Name: 4-decyl-3-fluoro-benzoic acid [4-[4-(2-chloro-3-methyl-butanoyl)oxyphenyl]phenyl] ester Formula: C34H40ClFO4 MolecularWeight: 567.130403

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=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

CCCCCCCCCCC1=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/C34H40ClFO4/c1-4-5-6-7-8-9-10-11-12-27-13-14-28(23-31(27)36)33(37)39-29-19-15-25(16-20-29)26-17-21-30(22-18-26)40-34(38)32(35)24(2)3/h13-24,32H,4-12H2,1-3H3