[4,5-dicarboxy-2-oxidanyl-4-(2-oxidanylpropyl)tricosan-5-yl]-trimethyl-azanium

Systemtic Name: [4,5-dicarboxy-2-oxidanyl-4-(2-oxidanylpropyl)tricosan-5-yl]-trimethyl-azanium Openeye Name: [1-carboxy-1-[1-carboxy-3-hydroxy-1-(2-hydroxypropyl)butyl]nonadecyl]-trimethyl-ammonium CAS Name: [4,5-dicarboxy-2-hydroxy-4-(2-hydroxypropyl)tricosan-5-yl]-trimethylammonium IUPAC Name: [4,5-dicarboxy-2-hydroxy-4-(2-hydroxypropyl)tricosan-5-yl]-trimethylazanium Traditional Name: [1-carboxy-1-[1-carboxy-3-hydroxy-1-(2-hydroxypropyl)butyl]nonadecyl]-trimethyl-ammonium Formula: C31H62NO6+ MolecularWeight: 544.82708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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