2,2-bis(fluoranyl)-3-(4-methoxyphenyl)-3-oxidanyl-heptanethioate

Systemtic Name: 2,2-bis(fluoranyl)-3-(4-methoxyphenyl)-3-oxidanyl-heptanethioate Openeye Name: 2,2-difluoro-3-hydroxy-3-(4-methoxyphenyl)heptanethioate CAS Name: 2,2-difluoro-3-hydroxy-3-(4-methoxyphenyl)heptanethioate IUPAC Name: 2,2-difluoro-3-hydroxy-3-(4-methoxyphenyl)heptanethioate Traditional Name: 2,2-difluoro-3-hydroxy-3-(4-methoxyphenyl)thioenanthate Formula: C14H17F2O3S- MolecularWeight: 303.344786

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC=C(C=C1)OC)(C(C(=S)[O-])(F)F)O

Isomeric SMILES

CCCCC(C1=CC=C(C=C1)OC)(C(C(=S)[O-])(F)F)O

InChI

InChI=1S/C14H18F2O3S/c1-3-4-9-13(18,14(15,16)12(17)20)10-5-7-11(19-2)8-6-10/h5-8,18H,3-4,9H2,1-2H3,(H,17,20)/p-1