[1-(1,3-benzothiazol-2-ylsulfanyl)-3,4-dicarboxyoxy-butan-2-yl] hydrogen carbonate

Systemtic Name: [1-(1,3-benzothiazol-2-ylsulfanyl)-3,4-dicarboxyoxy-butan-2-yl] hydrogen carbonate Openeye Name: [3-(1,3-benzothiazol-2-ylsulfanyl)-2-carboxyoxy-1-(carboxyoxymethyl)propyl] hydrogen carbonate CAS Name: carbonic acid [1-(1,3-benzothiazol-2-ylthio)-3,4-dicarboxyoxybutan-2-yl] ester IUPAC Name: [1-(1,3-benzothiazol-2-ylsulfanyl)-3,4-dicarboxyoxybutan-2-yl] hydrogen carbonate Traditional Name: carbonic acid [3-(1,3-benzothiazol-2-ylthio)-2-carboxyoxy-1-(carboxyoxymethyl)propyl] ester Formula: C14H13NO9S2 MolecularWeight: 403.38432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13NO9S2/c16-12(17)22-5-8(23-13(18)19)9(24-14(20)21)6-25-11-15-7-3-1-2-4-10(7)26-11/h1-4,8-9H,5-6H2,(H,16,17)(H,18,19)(H,20,21)