[6-(dodecylamino)-3,4,5-tris(oxidanyl)-6-oxidanylidene-1-sulfooxy-hexan-2-yl] hydrogen sulfate

Systemtic Name: [6-(dodecylamino)-3,4,5-tris(oxidanyl)-6-oxidanylidene-1-sulfooxy-hexan-2-yl] hydrogen sulfate Openeye Name: [6-(dodecylamino)-3,4,5-trihydroxy-6-oxo-2-sulfooxy-hexyl] hydrogen sulfate CAS Name: sulfuric acid [6-(dodecylamino)-3,4,5-trihydroxy-6-oxo-1-sulfooxyhexan-2-yl] ester IUPAC Name: [6-(dodecylamino)-3,4,5-trihydroxy-6-oxo-1-sulfooxyhexan-2-yl] hydrogen sulfate Traditional Name: sulfuric acid [3,4,5-trihydroxy-6-keto-6-(laurylamino)-2-sulfoxy-hexyl] ester Formula: C18H37NO12S2 MolecularWeight: 523.61588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC(=O)C(C(C(C(COS(=O)(=O)O)OS(=O)(=O)O)O)O)O

Isomeric SMILES

CCCCCCCCCCCCNC(=O)C(C(C(C(COS(=O)(=O)O)OS(=O)(=O)O)O)O)O

InChI

InChI=1S/C18H37NO12S2/c1-2-3-4-5-6-7-8-9-10-11-12-19-18(23)17(22)16(21)15(20)14(31-33(27,28)29)13-30-32(24,25)26/h14-17,20-22H,2-13H2,1H3,(H,19,23)(H,24,25,26)(H,27,28,29)