[3-oxidanyl-2-(2-oxidanylpropanoylamino)octadec-4-enyl] hydrogen sulfate

Systemtic Name: [3-oxidanyl-2-(2-oxidanylpropanoylamino)octadec-4-enyl] hydrogen sulfate Openeye Name: [3-hydroxy-2-(2-hydroxypropanoylamino)octadec-4-enyl] hydrogen sulfate CAS Name: sulfuric acid [3-hydroxy-2-[(2-hydroxy-1-oxopropyl)amino]octadec-4-enyl] ester IUPAC Name: [3-hydroxy-2-(2-hydroxypropanoylamino)octadec-4-enyl] hydrogen sulfate Traditional Name: sulfuric acid (3-hydroxy-2-lactamido-octadec-4-enyl) ester Formula: C21H41NO7S MolecularWeight: 451.61774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC=CC(C(COS(=O)(=O)O)NC(=O)C(C)O)O

Isomeric SMILES

CCCCCCCCCCCCCC=CC(C(COS(=O)(=O)O)NC(=O)C(C)O)O

InChI

InChI=1S/C21H41NO7S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(24)19(17-29-30(26,27)28)22-21(25)18(2)23/h15-16,18-20,23-24H,3-14,17H2,1-2H3,(H,22,25)(H,26,27,28)