3-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]propanoate

Systemtic Name: 3-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]propanoate Openeye Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]propanoate CAS Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]propanoate IUPAC Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]propanoate Traditional Name: 3-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]propionate Formula: C12H12ClO4S- MolecularWeight: 287.73928

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSCCC(=O)[O-])Cl

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSCCC(=O)[O-])Cl

InChI

InChI=1S/C12H13ClO4S/c13-10-3-8-5-16-7-17-12(8)9(4-10)6-18-2-1-11(14)15/h3-4H,1-2,5-7H2,(H,14,15)/p-1