sodium (E)-2-(1,3-benzothiazol-2-yl)-3-oxidanylidene-prop-1-en-1-olate

Systemtic Name: sodium (E)-2-(1,3-benzothiazol-2-yl)-3-oxidanylidene-prop-1-en-1-olate Openeye Name: sodium (E)-2-(1,3-benzothiazol-2-yl)-3-oxo-prop-1-en-1-olate CAS Name: sodium (E)-2-(1,3-benzothiazol-2-yl)-3-oxo-1-propen-1-olate IUPAC Name: sodium (E)-2-(1,3-benzothiazol-2-yl)-3-oxoprop-1-en-1-olate Traditional Name: sodium (E)-2-(1,3-benzothiazol-2-yl)-3-keto-prop-1-en-1-olate Formula: C10H6NNaO2S MolecularWeight: 227.21491

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(=C[O-])C=O.[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)/C(=C/[O-])/C=O.[Na+]

InChI

InChI=1S/C10H7NO2S.Na/c12-5-7(6-13)10-11-8-3-1-2-4-9(8)14-10;/h1-6,12H;/q;+1/p-1/b7-5+;