3-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]propanoate

Systemtic Name: 3-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]propanoate Openeye Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]propanoate CAS Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]propanoate IUPAC Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]propanoate Traditional Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]propionate Formula: C11H10ClO4S- MolecularWeight: 273.7127

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CSCCC(=O)[O-])Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CSCCC(=O)[O-])Cl

InChI

InChI=1S/C11H11ClO4S/c12-8-4-10-9(15-6-16-10)3-7(8)5-17-2-1-11(13)14/h3-4H,1-2,5-6H2,(H,13,14)/p-1