2-[6-nitro-1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanoic acid

Systemtic Name: 2-[6-nitro-1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethanoic acid Openeye Name: 2-(6-nitro-1,1,3-trioxo-1,2-benzothiazol-2-yl)acetic acid CAS Name: 2-(6-nitro-1,1,3-trioxo-1,2-benzothiazol-2-yl)acetic acid IUPAC Name: 2-(6-nitro-1,1,3-trioxo-1,2-benzothiazol-2-yl)acetic acid Traditional Name: 2-(1,1,3-triketo-6-nitro-1,2-benzothiazol-2-yl)acetic acid Formula: C9H6N2O7S MolecularWeight: 286.21814

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])S(=O)(=O)N(C2=O)CC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])S(=O)(=O)N(C2=O)CC(=O)O

InChI

InChI=1S/C9H6N2O7S/c12-8(13)4-10-9(14)6-2-1-5(11(15)16)3-7(6)19(10,17)18/h1-3H,4H2,(H,12,13)