2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]ethanoic acid

Systemtic Name: 2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]ethanoic acid Openeye Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]acetic acid CAS Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]acetic acid IUPAC Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]acetic acid Traditional Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]acetic acid Formula: C10H9ClO4S MolecularWeight: 260.69406

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)CSCC(=O)O)Cl

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)CSCC(=O)O)Cl

InChI

InChI=1S/C10H9ClO4S/c11-7-1-6(3-16-4-9(12)13)2-8-10(7)15-5-14-8/h1-2H,3-5H2,(H,12,13)