[(E)-1,1,1-tris(oxidanyl)-3-oxidanylidene-icos-11-en-2-yl]azanium bromide

Systemtic Name: [(E)-1,1,1-tris(oxidanyl)-3-oxidanylidene-icos-11-en-2-yl]azanium bromide Openeye Name: [(E)-2-oxo-1-(trihydroxymethyl)nonadec-10-enyl]ammonium bromide CAS Name: [(E)-1,1,1-trihydroxy-3-oxoeicos-11-en-2-yl]ammonium bromide IUPAC Name: [(E)-1,1,1-trihydroxy-3-oxoicos-11-en-2-yl]azanium bromide Traditional Name: [(E)-2-keto-1-(trihydroxymethyl)nonadec-10-enyl]ammonium bromide Formula: C20H40BrNO4 MolecularWeight: 438.4399

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)C(C(O)(O)O)[NH3+].[Br-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)C(C(O)(O)O)[NH3+].[Br-]

InChI

InChI=1S/C20H39NO4.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(22)19(21)20(23,24)25;/h9-10,19,23-25H,2-8,11-17,21H2,1H3;1H/b10-9+;