[5,6-dicarboxy-1-oxidanyl-5-(3-oxidanylpropyl)octadecan-6-yl]-trimethyl-azanium

Systemtic Name: [5,6-dicarboxy-1-oxidanyl-5-(3-oxidanylpropyl)octadecan-6-yl]-trimethyl-azanium Openeye Name: [1-carboxy-1-[1-carboxy-5-hydroxy-1-(3-hydroxypropyl)pentyl]tridecyl]-trimethyl-ammonium CAS Name: [5,6-dicarboxy-1-hydroxy-5-(3-hydroxypropyl)octadecan-6-yl]-trimethylammonium IUPAC Name: [5,6-dicarboxy-1-hydroxy-5-(3-hydroxypropyl)octadecan-6-yl]-trimethylazanium Traditional Name: [1-carboxy-1-[1-carboxy-5-hydroxy-1-(3-hydroxypropyl)pentyl]tridecyl]-trimethyl-ammonium Formula: C26H52NO6+ MolecularWeight: 474.69418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C(=O)O)(C(CCCCO)(CCCO)C(=O)O)[N+](C)(C)C

Isomeric SMILES

CCCCCCCCCCCCC(C(=O)O)(C(CCCCO)(CCCO)C(=O)O)[N+](C)(C)C

InChI

InChI=1S/C26H51NO6/c1-5-6-7-8-9-10-11-12-13-14-20-26(24(32)33,27(2,3)4)25(23(30)31,19-17-22-29)18-15-16-21-28/h28-29H,5-22H2,1-4H3,(H-,30,31,32,33)/p+1