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

Systemtic Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]benzoic acid Openeye Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]benzoic acid CAS Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]benzoic acid IUPAC Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]benzoic acid Traditional Name: 2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]benzoic acid Formula: C16H13NO6S MolecularWeight: 347.34252

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=CC=CC=C3C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=CC=CC=C3C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H13NO6S/c18-16(19)13-3-1-2-4-14(13)24-8-11-6-12(17(20)21)5-10-7-22-9-23-15(10)11/h1-6H,7-9H2,(H,18,19)