sodium 3-(methoxymethyl)-2-sulfanylidene-1,3-benzothiazole-6-sulfinate

Systemtic Name: sodium 3-(methoxymethyl)-2-sulfanylidene-1,3-benzothiazole-6-sulfinate Openeye Name: sodium 3-(methoxymethyl)-2-thioxo-1,3-benzothiazole-6-sulfinate CAS Name: sodium 3-(methoxymethyl)-2-sulfanylidene-1,3-benzothiazole-6-sulfinate IUPAC Name: sodium 3-(methoxymethyl)-2-sulfanylidene-1,3-benzothiazole-6-sulfinate Traditional Name: sodium 3-(methoxymethyl)-2-thioxo-1,3-benzothiazole-6-sulfinate Formula: C9H8NNaO3S3 MolecularWeight: 297.34949

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Descriptors Computed from Structure

Canonical SMILES:

COCN1C2=C(C=C(C=C2)S(=O)[O-])SC1=S.[Na+]

Isomeric SMILES

COCN1C2=C(C=C(C=C2)S(=O)[O-])SC1=S.[Na+]

InChI

InChI=1S/C9H9NO3S3.Na/c1-13-5-10-7-3-2-6(16(11)12)4-8(7)15-9(10)14;/h2-4H,5H2,1H3,(H,11,12);/q;+1/p-1