[9-(2-azanylethylsulfanyl)-5-methoxy-1,2,3-tris(oxidanyl)-6-oxidanylidene-nonan-4-yl] hydrogen carbonate

Systemtic Name: [9-(2-azanylethylsulfanyl)-5-methoxy-1,2,3-tris(oxidanyl)-6-oxidanylidene-nonan-4-yl] hydrogen carbonate Openeye Name: [6-(2-aminoethylsulfanyl)-2-methoxy-3-oxo-1-(1,2,3-trihydroxypropyl)hexyl] hydrogen carbonate CAS Name: carbonic acid [9-(2-aminoethylthio)-1,2,3-trihydroxy-5-methoxy-6-oxononan-4-yl] ester IUPAC Name: [9-(2-aminoethylsulfanyl)-1,2,3-trihydroxy-5-methoxy-6-oxononan-4-yl] hydrogen carbonate Traditional Name: carbonic acid [6-(2-aminoethylthio)-3-keto-2-methoxy-1-(1,2,3-trihydroxypropyl)hexyl] ester Formula: C13H25NO8S MolecularWeight: 355.4045

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Descriptors Computed from Structure

Canonical SMILES:

COC(C(C(C(CO)O)O)OC(=O)O)C(=O)CCCSCCN

Isomeric SMILES

COC(C(C(C(CO)O)O)OC(=O)O)C(=O)CCCSCCN

InChI

InChI=1S/C13H25NO8S/c1-21-11(8(16)3-2-5-23-6-4-14)12(22-13(19)20)10(18)9(17)7-15/h9-12,15,17-18H,2-7,14H2,1H3,(H,19,20)