hexadecyl sulfate; 2-oxidanylhexylazanium

Systemtic Name: hexadecyl sulfate; 2-oxidanylhexylazanium Openeye Name: hexadecyl sulfate; 2-hydroxyhexylammonium CAS Name: hexadecyl sulfate; 2-hydroxyhexylammonium IUPAC Name: hexadecyl sulfate; 2-hydroxyhexylazanium Traditional Name: cetyl sulfate; 2-hydroxyhexylammonium Formula: C22H49NO5S MolecularWeight: 439.69316

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOS(=O)(=O)[O-].CCCCC(C[NH3+])O

Isomeric SMILES

CCCCCCCCCCCCCCCCOS(=O)(=O)[O-].CCCCC(C[NH3+])O

InChI

InChI=1S/C16H34O4S.C6H15NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;1-2-3-4-6(8)5-7/h2-16H2,1H3,(H,17,18,19);6,8H,2-5,7H2,1H3