2,2-bis(fluoranyl)-3-(4-methoxyphenyl)-3-oxidanyl-heptanethioic S-acid

Systemtic Name: 2,2-bis(fluoranyl)-3-(4-methoxyphenyl)-3-oxidanyl-heptanethioic S-acid Openeye Name: 2,2-difluoro-3-hydroxy-3-(4-methoxyphenyl)heptanethioic S-acid CAS Name: 2,2-difluoro-3-hydroxy-3-(4-methoxyphenyl)heptanethioic S-acid IUPAC Name: 2,2-difluoro-3-hydroxy-3-(4-methoxyphenyl)heptanethioic S-acid Traditional Name: 2,2-difluoro-3-hydroxy-3-(4-methoxyphenyl)thioenanthic acid Formula: C14H18F2O3S MolecularWeight: 304.352726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC=C(C=C1)OC)(C(C(=O)S)(F)F)O

Isomeric SMILES

CCCCC(C1=CC=C(C=C1)OC)(C(C(=O)S)(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)