(2S)-2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]propanoate

Systemtic Name: (2S)-2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]propanoate Openeye Name: (2S)-2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]propanoate CAS Name: (2S)-2-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]propanoate IUPAC Name: (2S)-2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]propanoate Traditional Name: (2S)-2-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]propionate Formula: C11H10ClO4S- MolecularWeight: 273.7127

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])SCC1=CC2=C(C(=C1)Cl)OCO2

Isomeric SMILES

C[C@@H](C(=O)[O-])SCC1=CC2=C(C(=C1)Cl)OCO2

InChI

InChI=1S/C11H11ClO4S/c1-6(11(13)14)17-4-7-2-8(12)10-9(3-7)15-5-16-10/h2-3,6H,4-5H2,1H3,(H,13,14)/p-1/t6-/m0/s1