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

Systemtic Name: 3-[6-nitro-1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanoic acid Openeye Name: 3-(6-nitro-1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoic acid CAS Name: 3-(6-nitro-1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoic acid IUPAC Name: 3-(6-nitro-1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoic acid Traditional Name: 3-(1,1,3-triketo-6-nitro-1,2-benzothiazol-2-yl)propionic acid Formula: C10H8N2O7S MolecularWeight: 300.24472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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