22-oxidanylidene-22-(3-oxidanylpropylamino)docosa-10,12-diynoate; 3-oxidanylpropylazanium

Systemtic Name: 22-oxidanylidene-22-(3-oxidanylpropylamino)docosa-10,12-diynoate; 3-oxidanylpropylazanium Openeye Name: 22-(3-hydroxypropylamino)-22-oxo-docosa-10,12-diynoate; 3-hydroxypropylammonium CAS Name: 22-(3-hydroxypropylamino)-22-oxodocosa-10,12-diynoate; 3-hydroxypropylammonium IUPAC Name: 22-(3-hydroxypropylamino)-22-oxodocosa-10,12-diynoate; 3-hydroxypropylazanium Traditional Name: 22-(3-hydroxypropylamino)-22-keto-docosa-10,12-diynoate; 3-hydroxypropylammonium Formula: C28H50N2O5 MolecularWeight: 494.707

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCCC(=O)NCCCO)CCCC#CC#CCCCCCCCCC(=O)[O-].C(C[NH3+])CO

Isomeric SMILES

C(CCCCC(=O)NCCCO)CCCC#CC#CCCCCCCCCC(=O)[O-].C(C[NH3+])CO

InChI

InChI=1S/C25H41NO4.C3H9NO/c27-23-19-22-26-24(28)20-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-21-25(29)30;4-2-1-3-5/h27H,5-23H2,(H,26,28)(H,29,30);5H,1-4H2