[4-[2,3-bis(fluoranyl)-4-heptoxy-phenyl]phenyl] 3-chloranyl-2-methyl-heptanoate

Systemtic Name: [4-[2,3-bis(fluoranyl)-4-heptoxy-phenyl]phenyl] 3-chloranyl-2-methyl-heptanoate Openeye Name: [4-(2,3-difluoro-4-heptoxy-phenyl)phenyl] 3-chloro-2-methyl-heptanoate CAS Name: 3-chloro-2-methylheptanoic acid [4-(2,3-difluoro-4-heptoxyphenyl)phenyl] ester IUPAC Name: [4-(2,3-difluoro-4-heptoxyphenyl)phenyl] 3-chloro-2-methylheptanoate Traditional Name: 3-chloro-2-methyl-enanthic acid [4-(2,3-difluoro-4-heptoxy-phenyl)phenyl] ester Formula: C27H35ClF2O3 MolecularWeight: 481.014806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35ClF2O3/c1-4-6-8-9-10-18-32-24-17-16-22(25(29)26(24)30)20-12-14-21(15-13-20)33-27(31)19(3)23(28)11-7-5-2/h12-17,19,23H,4-11,18H2,1-3H3