2-[(1-oxidanidyl-1,2,4-benzotriazin-1-ium-3-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(1-oxidanidyl-1,2,4-benzotriazin-1-ium-3-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(1-oxido-1,2,4-benzotriazin-1-ium-3-yl)sulfanyl]acetic acid CAS Name: 2-[(1-oxido-1,2,4-benzotriazin-1-ium-3-yl)thio]acetic acid IUPAC Name: 2-[(1-oxido-1,2,4-benzotriazin-1-ium-3-yl)sulfanyl]acetic acid Traditional Name: 2-[(1-oxido-1,2,4-benzotriazin-1-ium-3-yl)thio]acetic acid Formula: C9H7N3O3S MolecularWeight: 237.23518

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(N=[N+]2[O-])SCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(N=[N+]2[O-])SCC(=O)O

InChI

InChI=1S/C9H7N3O3S/c13-8(14)5-16-9-10-6-3-1-2-4-7(6)12(15)11-9/h1-4H,5H2,(H,13,14)