sodium 5-(1,3-benzothiazol-2-yl)-2,3,4,5-tetrakis(oxidanyl)pentanoate

Systemtic Name: sodium 5-(1,3-benzothiazol-2-yl)-2,3,4,5-tetrakis(oxidanyl)pentanoate Openeye Name: sodium 5-(1,3-benzothiazol-2-yl)-2,3,4,5-tetrahydroxy-pentanoate CAS Name: sodium 5-(1,3-benzothiazol-2-yl)-2,3,4,5-tetrahydroxypentanoate IUPAC Name: sodium 5-(1,3-benzothiazol-2-yl)-2,3,4,5-tetrahydroxypentanoate Traditional Name: sodium 5-(1,3-benzothiazol-2-yl)-2,3,4,5-tetrahydroxy-valerate Formula: C12H12NNaO6S MolecularWeight: 321.28155

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO6S.Na/c14-7(8(15)10(17)12(18)19)9(16)11-13-5-3-1-2-4-6(5)20-11;/h1-4,7-10,14-17H,(H,18,19);/q;+1/p-1