[(E)-1,1-bis(oxidanyl)-4-oxidanylidene-henicos-12-en-2-yl]azanium; 2-oxidanylethanoate

Systemtic Name: [(E)-1,1-bis(oxidanyl)-4-oxidanylidene-henicos-12-en-2-yl]azanium; 2-oxidanylethanoate Openeye Name: [(E)-1-(dihydroxymethyl)-3-oxo-icos-11-enyl]ammonium; 2-hydroxyacetate CAS Name: [(E)-1,1-dihydroxy-4-oxoheneicos-12-en-2-yl]ammonium; 2-hydroxyacetate IUPAC Name: [(E)-1,1-dihydroxy-4-oxohenicos-12-en-2-yl]azanium; 2-hydroxyacetate Traditional Name: [(E)-1-(dihydroxymethyl)-3-keto-eicos-11-enyl]ammonium; glycolate Formula: C23H45NO6 MolecularWeight: 431.6065

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H41NO3.C2H4O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(23)18-20(22)21(24)25;3-1-2(4)5/h9-10,20-21,24-25H,2-8,11-18,22H2,1H3;3H,1H2,(H,4,5)/b10-9+;