sodium 2,3-diacetyloxy-3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: sodium 2,3-diacetyloxy-3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: sodium 2,3-diacetoxy-3-(1,3-benzothiazol-2-yl)propanoate CAS Name: sodium 2,3-diacetyloxy-3-(1,3-benzothiazol-2-yl)propanoate IUPAC Name: sodium 2,3-diacetyloxy-3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: sodium 2,3-diacetoxy-3-(1,3-benzothiazol-2-yl)propionate Formula: C14H12NNaO6S MolecularWeight: 345.30295

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C1=NC2=CC=CC=C2S1)C(C(=O)[O-])OC(=O)C.[Na+]

Isomeric SMILES

CC(=O)OC(C1=NC2=CC=CC=C2S1)C(C(=O)[O-])OC(=O)C.[Na+]

InChI

InChI=1S/C14H13NO6S.Na/c1-7(16)20-11(12(14(18)19)21-8(2)17)13-15-9-5-3-4-6-10(9)22-13;/h3-6,11-12H,1-2H3,(H,18,19);/q;+1/p-1