azanium 6-methoxycarbonyl-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-olate

Systemtic Name: azanium 6-methoxycarbonyl-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-olate Openeye Name: ammonium 6-methoxycarbonyl-1,1-dioxo-1,2-benzothiazol-3-olate CAS Name: ammonium 6-methoxycarbonyl-1,1-dioxo-1,2-benzothiazol-3-olate IUPAC Name: azanium 6-methoxycarbonyl-1,1-dioxo-1,2-benzothiazol-3-olate Traditional Name: ammonium 6-carbomethoxy-1,1-diketo-1,2-benzothiazol-3-olate Formula: C9H10N2O5S MolecularWeight: 258.2511

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=NS2(=O)=O)[O-].[NH4+]

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=NS2(=O)=O)[O-].[NH4+]

InChI

InChI=1S/C9H7NO5S.H3N/c1-15-9(12)5-2-3-6-7(4-5)16(13,14)10-8(6)11;/h2-4H,1H3,(H,10,11);1H3