3-[4-nitro-1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanoic acid

Systemtic Name: 3-[4-nitro-1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanoic acid Openeye Name: 3-(4-nitro-1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoic acid CAS Name: 3-(4-nitro-1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoic acid IUPAC Name: 3-(4-nitro-1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoic acid Traditional Name: 3-(1,1,3-triketo-4-nitro-1,2-benzothiazol-2-yl)propionic acid Formula: C10H8N2O7S MolecularWeight: 300.24472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=C1)S(=O)(=O)N(C2=O)CCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C2C(=C1)S(=O)(=O)N(C2=O)CCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C10H8N2O7S/c13-8(14)4-5-11-10(15)9-6(12(16)17)2-1-3-7(9)20(11,18)19/h1-3H,4-5H2,(H,13,14)