2-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]benzoic acid

Systemtic Name: 2-[(6-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]benzoic acid Openeye Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]benzoic acid CAS Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]benzoic acid IUPAC Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]benzoic acid Traditional Name: 2-[(6-chloro-1,3-benzodioxol-5-yl)methylthio]benzoic acid Formula: C15H11ClO4S MolecularWeight: 322.76344

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)CSC3=CC=CC=C3C(=O)O)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)CSC3=CC=CC=C3C(=O)O)Cl

InChI

InChI=1S/C15H11ClO4S/c16-11-6-13-12(19-8-20-13)5-9(11)7-21-14-4-2-1-3-10(14)15(17)18/h1-6H,7-8H2,(H,17,18)