3-tert-butyl-2,2-bis(fluoranyl)-3-oxidanyl-heptanethioic S-acid

Systemtic Name: 3-tert-butyl-2,2-bis(fluoranyl)-3-oxidanyl-heptanethioic S-acid Openeye Name: 3-tert-butyl-2,2-difluoro-3-hydroxy-heptanethioic S-acid CAS Name: 3-tert-butyl-2,2-difluoro-3-hydroxyheptanethioic S-acid IUPAC Name: 3-tert-butyl-2,2-difluoro-3-hydroxyheptanethioic S-acid Traditional Name: 3-tert-butyl-2,2-difluoro-3-hydroxy-thioenanthic acid Formula: C11H20F2O2S MolecularWeight: 254.337106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(C)(C)C)(C(C(=O)S)(F)F)O

Isomeric SMILES

CCCCC(C(C)(C)C)(C(C(=O)S)(F)F)O

InChI

InChI=1S/C11H20F2O2S/c1-5-6-7-10(15,9(2,3)4)11(12,13)8(14)16/h15H,5-7H2,1-4H3,(H,14,16)