[11-oxidanyl-1-(2-sulfanylethylamino)undecan-2-yl] hydrogen sulfate

Systemtic Name: [11-oxidanyl-1-(2-sulfanylethylamino)undecan-2-yl] hydrogen sulfate Openeye Name: [10-hydroxy-1-[(2-sulfanylethylamino)methyl]decyl] hydrogen sulfate CAS Name: sulfuric acid [11-hydroxy-1-(2-mercaptoethylamino)undecan-2-yl] ester IUPAC Name: [11-hydroxy-1-(2-sulfanylethylamino)undecan-2-yl] hydrogen sulfate Traditional Name: sulfuric acid [10-hydroxy-1-[(2-mercaptoethylamino)methyl]decyl] ester Formula: C13H29NO5S2 MolecularWeight: 343.50306

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCCC(CNCCS)OS(=O)(=O)O)CCCCO

Isomeric SMILES

C(CCCCC(CNCCS)OS(=O)(=O)O)CCCCO

InChI

InChI=1S/C13H29NO5S2/c15-10-7-5-3-1-2-4-6-8-13(12-14-9-11-20)19-21(16,17)18/h13-15,20H,1-12H2,(H,16,17,18)