[1-(1,3-benzothiazol-2-ylsulfanyl)-1,3-dicarboxyoxy-propan-2-yl] hydrogen carbonate

Systemtic Name: [1-(1,3-benzothiazol-2-ylsulfanyl)-1,3-dicarboxyoxy-propan-2-yl] hydrogen carbonate Openeye Name: [2-(1,3-benzothiazol-2-ylsulfanyl)-2-carboxyoxy-1-(carboxyoxymethyl)ethyl] hydrogen carbonate CAS Name: carbonic acid [1-(1,3-benzothiazol-2-ylthio)-1,3-dicarboxyoxypropan-2-yl] ester IUPAC Name: [1-(1,3-benzothiazol-2-ylsulfanyl)-1,3-dicarboxyoxypropan-2-yl] hydrogen carbonate Traditional Name: carbonic acid [2-(1,3-benzothiazol-2-ylthio)-2-carboxyoxy-1-(carboxyoxymethyl)ethyl] ester Formula: C13H11NO9S2 MolecularWeight: 389.35774

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC(C(COC(=O)O)OC(=O)O)OC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC(C(COC(=O)O)OC(=O)O)OC(=O)O

InChI

InChI=1S/C13H11NO9S2/c15-11(16)21-5-7(22-12(17)18)9(23-13(19)20)25-10-14-6-3-1-2-4-8(6)24-10/h1-4,7,9H,5H2,(H,15,16)(H,17,18)(H,19,20)