methyl (2R)-2-[bis(fluoranyl)-[(6-oxidanyl-1,3-benzodioxol-5-yl)sulfanyl]methyl]-3,3,3-tris(fluoranyl)propanoate

Systemtic Name: methyl (2R)-2-[bis(fluoranyl)-[(6-oxidanyl-1,3-benzodioxol-5-yl)sulfanyl]methyl]-3,3,3-tris(fluoranyl)propanoate Openeye Name: methyl (2R)-2-[difluoro-[(6-hydroxy-1,3-benzodioxol-5-yl)sulfanyl]methyl]-3,3,3-trifluoro-propanoate CAS Name: (2R)-2-[difluoro-[(6-hydroxy-1,3-benzodioxol-5-yl)thio]methyl]-3,3,3-trifluoropropanoic acid methyl ester IUPAC Name: methyl (2R)-2-[difluoro-[(6-hydroxy-1,3-benzodioxol-5-yl)sulfanyl]methyl]-3,3,3-trifluoropropanoate Traditional Name: (2R)-2-[difluoro-[(6-hydroxy-1,3-benzodioxol-5-yl)thio]methyl]-3,3,3-trifluoro-propionic acid methyl ester Formula: C12H9F5O5S MolecularWeight: 360.253876

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(F)(F)F)C(F)(F)SC1=C(C=C2C(=C1)OCO2)O

Isomeric SMILES

COC(=O)[C@H](C(F)(F)F)C(F)(F)SC1=C(C=C2C(=C1)OCO2)O

InChI

InChI=1S/C12H9F5O5S/c1-20-10(19)9(11(13,14)15)12(16,17)23-8-3-7-6(2-5(8)18)21-4-22-7/h2-3,9,18H,4H2,1H3/t9-/m1/s1