4,5-bis(oxidanyl)pentyl-hexadecyl-bis(3-oxidanylpropyl)azanium sulfate

Systemtic Name: 4,5-bis(oxidanyl)pentyl-hexadecyl-bis(3-oxidanylpropyl)azanium sulfate Openeye Name: 4,5-dihydroxypentyl-hexadecyl-bis(3-hydroxypropyl)ammonium sulfate CAS Name: 4,5-dihydroxypentyl-hexadecyl-bis(3-hydroxypropyl)ammonium sulfate IUPAC Name: 4,5-dihydroxypentyl-hexadecyl-bis(3-hydroxypropyl)azanium sulfate Traditional Name: cetyl-(4,5-dihydroxypentyl)-bis(3-hydroxypropyl)ammonium sulfate Formula: C27H58NO8S- MolecularWeight: 556.81632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](CCCC(CO)O)(CCCO)CCCO.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](CCCC(CO)O)(CCCO)CCCO.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C27H58NO4.H2O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-28(22-17-24-29,23-18-25-30)21-16-19-27(32)26-31;1-5(2,3)4/h27,29-32H,2-26H2,1H3;(H2,1,2,3,4)/q+1;/p-2