[3-carboxy-1,4-bis(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]-hexadecyl-phosphanium

Systemtic Name: [3-carboxy-1,4-bis(oxidanyl)-1,4-bis(oxidanylidene)butan-2-yl]-hexadecyl-phosphanium Openeye Name: (1,2-dicarboxy-3-hydroxy-3-oxo-propyl)-hexadecyl-phosphonium CAS Name: (3-carboxy-1,4-dihydroxy-1,4-dioxobutan-2-yl)-hexadecylphosphonium IUPAC Name: (3-carboxy-1,4-dihydroxy-1,4-dioxobutan-2-yl)-hexadecylphosphanium Traditional Name: cetyl-(1,2-dicarboxy-3-hydroxy-3-keto-propyl)phosphonium Formula: C21H40O6P+ MolecularWeight: 419.512461

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[PH2+]C(C(C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC[PH2+]C(C(C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C21H39O6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-28-18(21(26)27)17(19(22)23)20(24)25/h17-18,28H,2-16H2,1H3,(H,22,23)(H,24,25)(H,26,27)/p+1