1-[(E)-1,1-bis(oxidanyl)-4-oxidanylidene-henicos-12-en-2-yl]oxyethylazanium chloride

Systemtic Name: 1-[(E)-1,1-bis(oxidanyl)-4-oxidanylidene-henicos-12-en-2-yl]oxyethylazanium chloride Openeye Name: 1-[(E)-1-(dihydroxymethyl)-3-oxo-icos-11-enoxy]ethylammonium chloride CAS Name: 1-[(E)-1,1-dihydroxy-4-oxoheneicos-12-en-2-yl]oxyethylammonium chloride IUPAC Name: 1-[(E)-1,1-dihydroxy-4-oxohenicos-12-en-2-yl]oxyethylazanium chloride Traditional Name: 1-[(E)-1-(dihydroxymethyl)-3-keto-eicos-11-enoxy]ethylammonium chloride Formula: C23H46ClNO4 MolecularWeight: 436.06864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)CC(C(O)O)OC(C)[NH3+].[Cl-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)CC(C(O)O)OC(C)[NH3+].[Cl-]

InChI

InChI=1S/C23H45NO4.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(25)19-22(23(26)27)28-20(2)24;/h10-11,20,22-23,26-27H,3-9,12-19,24H2,1-2H3;1H/b11-10+;