2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]benzoic acid

Systemtic Name: 2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]benzoic acid Openeye Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]benzoic acid CAS Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]benzoic acid IUPAC Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]benzoic acid Traditional Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]benzoic acid Formula: C16H13ClO4S MolecularWeight: 336.79002

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=CC=CC=C3C(=O)O)Cl

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=CC=CC=C3C(=O)O)Cl

InChI

InChI=1S/C16H13ClO4S/c17-12-5-10-7-20-9-21-15(10)11(6-12)8-22-14-4-2-1-3-13(14)16(18)19/h1-6H,7-9H2,(H,18,19)