dimethyl 4-[3,4-bis[bis(fluoranyl)methoxy]phenyl]-4-cyano-heptanedioate

Systemtic Name: dimethyl 4-[3,4-bis[bis(fluoranyl)methoxy]phenyl]-4-cyano-heptanedioate Openeye Name: dimethyl 4-[3,4-bis(difluoromethoxy)phenyl]-4-cyano-heptanedioate CAS Name: 4-[3,4-bis(difluoromethoxy)phenyl]-4-cyanoheptanedioic acid dimethyl ester IUPAC Name: dimethyl 4-[3,4-bis(difluoromethoxy)phenyl]-4-cyanoheptanedioate Traditional Name: 4-[3,4-bis(difluoromethoxy)phenyl]-4-cyano-pimelic acid dimethyl ester Formula: C18H19F4NO6 MolecularWeight: 421.340173

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(CCC(=O)OC)(C#N)C1=CC(=C(C=C1)OC(F)F)OC(F)F

Isomeric SMILES

COC(=O)CCC(CCC(=O)OC)(C#N)C1=CC(=C(C=C1)OC(F)F)OC(F)F

InChI

InChI=1S/C18H19F4NO6/c1-26-14(24)5-7-18(10-23,8-6-15(25)27-2)11-3-4-12(28-16(19)20)13(9-11)29-17(21)22/h3-4,9,16-17H,5-8H2,1-2H3