sodium [(2S,3R)-2-azanyl-2-(hydroxymethyl)-1-oxidanyl-1,12-bis(oxidanylidene)octadecan-3-yl] sulfate

Systemtic Name: sodium [(2S,3R)-2-azanyl-2-(hydroxymethyl)-1-oxidanyl-1,12-bis(oxidanylidene)octadecan-3-yl] sulfate Openeye Name: sodium [(1R)-1-[(1S)-1-amino-2-hydroxy-1-(hydroxymethyl)-2-oxo-ethyl]-10-oxo-hexadecyl] sulfate CAS Name: sodium [(2S,3R)-2-amino-1-hydroxy-2-(hydroxymethyl)-1,12-dioxooctadecan-3-yl] sulfate IUPAC Name: sodium [(2S,3R)-2-amino-1-hydroxy-2-(hydroxymethyl)-1,12-dioxooctadecan-3-yl] sulfate Traditional Name: sodium [(1R)-1-[(1S)-1-amino-2-hydroxy-2-keto-1-methylol-ethyl]-10-keto-hexadecyl] sulfate Formula: C19H36NNaO8S MolecularWeight: 461.54581

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)CCCCCCCCC(C(CO)(C(=O)O)N)OS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCC(=O)CCCCCCCC[C@H]([C@@](CO)(C(=O)O)N)OS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C19H37NO8S.Na/c1-2-3-4-9-12-16(22)13-10-7-5-6-8-11-14-17(28-29(25,26)27)19(20,15-21)18(23)24;/h17,21H,2-15,20H2,1H3,(H,23,24)(H,25,26,27);/q;+1/p-1/t17-,19+;/m1./s1