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

Systemtic Name: [4-[4-(2-chloranyl-3-methyl-butanoyl)oxyphenyl]phenyl] 3-fluoranyl-4-hexyl-benzoate Openeye Name: [4-[4-(2-chloro-3-methyl-butanoyl)oxyphenyl]phenyl] 3-fluoro-4-hexyl-benzoate CAS Name: 3-fluoro-4-hexylbenzoic 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-hexylbenzoate Traditional Name: 3-fluoro-4-hexyl-benzoic acid [4-[4-(2-chloro-3-methyl-butanoyl)oxyphenyl]phenyl] ester Formula: C30H32ClFO4 MolecularWeight: 511.024083

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=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

CCCCCCC1=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/C30H32ClFO4/c1-4-5-6-7-8-23-9-10-24(19-27(23)32)29(33)35-25-15-11-21(12-16-25)22-13-17-26(18-14-22)36-30(34)28(31)20(2)3/h9-20,28H,4-8H2,1-3H3