4-[2-oxidanylidene-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethoxy]benzenecarbonitrile hydrochloride

Systemtic Name: 4-[2-oxidanylidene-2-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]ethoxy]benzenecarbonitrile hydrochloride Openeye Name: 4-[2-oxo-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethoxy]benzonitrile hydrochloride CAS Name: 4-[2-oxo-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethoxy]benzonitrile hydrochloride IUPAC Name: 4-[2-oxo-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethoxy]benzonitrile hydrochloride Traditional Name: 4-[2-keto-2-(1,1,3-triketo-1,2-benzothiazol-2-yl)ethoxy]benzonitrile hydrochloride Formula: C16H11ClN2O5S MolecularWeight: 378.78694

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)C(=O)COC3=CC=C(C=C3)C#N.Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(S2(=O)=O)C(=O)COC3=CC=C(C=C3)C#N.Cl

InChI

InChI=1S/C16H10N2O5S.ClH/c17-9-11-5-7-12(8-6-11)23-10-15(19)18-16(20)13-3-1-2-4-14(13)24(18,21)22;/h1-8H,10H2;1H