sodium [2-(1,3-benzothiazol-2-yl)-2-oxidanylidene-ethyl]-phenylmethoxy-phosphinate

Systemtic Name: sodium [2-(1,3-benzothiazol-2-yl)-2-oxidanylidene-ethyl]-phenylmethoxy-phosphinate Openeye Name: sodium [2-(1,3-benzothiazol-2-yl)-2-oxo-ethyl]-benzyloxy-phosphinate CAS Name: sodium [2-(1,3-benzothiazol-2-yl)-2-oxoethyl]-phenylmethoxyphosphinate IUPAC Name: sodium [2-(1,3-benzothiazol-2-yl)-2-oxoethyl]-phenylmethoxyphosphinate Traditional Name: sodium [2-(1,3-benzothiazol-2-yl)-2-keto-ethyl]-benzoxy-phosphinate Formula: C16H13NNaO4PS MolecularWeight: 369.307251

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COP(=O)(CC(=O)C2=NC3=CC=CC=C3S2)[O-].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)COP(=O)(CC(=O)C2=NC3=CC=CC=C3S2)[O-].[Na+]

InChI

InChI=1S/C16H14NO4PS.Na/c18-14(16-17-13-8-4-5-9-15(13)23-16)11-22(19,20)21-10-12-6-2-1-3-7-12;/h1-9H,10-11H2,(H,19,20);/q;+1/p-1