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

Systemtic Name: [4-[4-(2-chloranyl-3-methyl-butanoyl)oxyphenyl]phenyl] 3-fluoranyl-4-hexoxy-benzoate Openeye Name: [4-[4-(2-chloro-3-methyl-butanoyl)oxyphenyl]phenyl] 3-fluoro-4-hexoxy-benzoate CAS Name: 3-fluoro-4-hexoxybenzoic 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-hexoxybenzoate Traditional Name: 3-fluoro-4-hexoxy-benzoic acid [4-[4-(2-chloro-3-methyl-butanoyl)oxyphenyl]phenyl] ester Formula: C30H32ClFO5 MolecularWeight: 527.023483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=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

CCCCCCOC1=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/C30H32ClFO5/c1-4-5-6-7-18-35-27-17-12-23(19-26(27)32)29(33)36-24-13-8-21(9-14-24)22-10-15-25(16-11-22)37-30(34)28(31)20(2)3/h8-17,19-20,28H,4-7,18H2,1-3H3