[1-(1,3-benzoxazol-2-ylsulfanyl)-3-carboxyoxy-propan-2-yl] hydrogen carbonate

Systemtic Name: [1-(1,3-benzoxazol-2-ylsulfanyl)-3-carboxyoxy-propan-2-yl] hydrogen carbonate Openeye Name: [3-(1,3-benzoxazol-2-ylsulfanyl)-2-carboxyoxy-propyl] hydrogen carbonate CAS Name: carbonic acid [1-(1,3-benzoxazol-2-ylthio)-3-carboxyoxypropan-2-yl] ester IUPAC Name: [1-(1,3-benzoxazol-2-ylsulfanyl)-3-carboxyoxypropan-2-yl] hydrogen carbonate Traditional Name: carbonic acid [3-(1,3-benzoxazol-2-ylthio)-2-carboxyoxy-propyl] ester Formula: C12H11NO7S MolecularWeight: 313.28324

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)SCC(COC(=O)O)OC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)SCC(COC(=O)O)OC(=O)O

InChI

InChI=1S/C12H11NO7S/c14-11(15)18-5-7(19-12(16)17)6-21-10-13-8-3-1-2-4-9(8)20-10/h1-4,7H,5-6H2,(H,14,15)(H,16,17)