[3-carboxy-1,5-bis(oxidanyl)-1-oxidanylidene-hexan-3-yl]-dimethyl-(2-oxidanyldocosan-4-yl)azanium

Systemtic Name: [3-carboxy-1,5-bis(oxidanyl)-1-oxidanylidene-hexan-3-yl]-dimethyl-(2-oxidanyldocosan-4-yl)azanium Openeye Name: [1-carboxy-1-(carboxymethyl)-3-hydroxy-butyl]-[1-(2-hydroxypropyl)nonadecyl]-dimethyl-ammonium CAS Name: (3-carboxy-1,5-dihydroxy-1-oxohexan-3-yl)-(2-hydroxydocosan-4-yl)-dimethylammonium IUPAC Name: (3-carboxy-1,5-dihydroxy-1-oxohexan-3-yl)-(2-hydroxydocosan-4-yl)-dimethylazanium Traditional Name: [1-carboxy-1-(carboxymethyl)-3-hydroxy-butyl]-[1-(2-hydroxypropyl)nonadecyl]-dimethyl-ammonium Formula: C31H62NO6+ MolecularWeight: 544.82708

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CC(C)O)[N+](C)(C)C(CC(C)O)(CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CC(C)O)[N+](C)(C)C(CC(C)O)(CC(=O)O)C(=O)O

InChI

InChI=1S/C31H61NO6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(23-26(2)33)32(4,5)31(30(37)38,24-27(3)34)25-29(35)36/h26-28,33-34H,6-25H2,1-5H3,(H-,35,36,37,38)/p+1