sodium (3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-diene-1-sulfonate

Systemtic Name: sodium (3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxidanylidene-cyclohexa-1,5-diene-1-sulfonate Openeye Name: sodium (3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxo-cyclohexa-1,5-diene-1-sulfonate CAS Name: sodium (3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxo-1-cyclohexa-1,5-dienesulfonate IUPAC Name: sodium (3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-oxocyclohexa-1,5-diene-1-sulfonate Traditional Name: sodium (3E)-3-(3H-1,3-benzothiazol-2-ylidene)-4-keto-cyclohexa-1,5-diene-1-sulfonate Formula: C13H8NNaO4S2 MolecularWeight: 329.32669

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C3C=C(C=CC3=O)S(=O)(=O)[O-])S2.[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)N/C(=C\3/C=C(C=CC3=O)S(=O)(=O)[O-])/S2.[Na+]

InChI

InChI=1S/C13H9NO4S2.Na/c15-11-6-5-8(20(16,17)18)7-9(11)13-14-10-3-1-2-4-12(10)19-13;/h1-7,14H,(H,16,17,18);/q;+1/p-1/b13-9+;