3-[butanoyl(hexadecyl)amino]-2-oxidanyl-propane-1-sulfonic acid

Systemtic Name: 3-[butanoyl(hexadecyl)amino]-2-oxidanyl-propane-1-sulfonic acid Openeye Name: 3-[butanoyl(hexadecyl)amino]-2-hydroxy-propane-1-sulfonic acid CAS Name: 3-[hexadecyl(1-oxobutyl)amino]-2-hydroxy-1-propanesulfonic acid IUPAC Name: 3-[butanoyl(hexadecyl)amino]-2-hydroxypropane-1-sulfonic acid Traditional Name: 3-[butyryl(cetyl)amino]-2-hydroxy-propane-1-sulfonic acid Formula: C23H47NO5S MolecularWeight: 449.68798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN(CC(CS(=O)(=O)O)O)C(=O)CCC

Isomeric SMILES

CCCCCCCCCCCCCCCCN(CC(CS(=O)(=O)O)O)C(=O)CCC

InChI

InChI=1S/C23H47NO5S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24(23(26)18-4-2)20-22(25)21-30(27,28)29/h22,25H,3-21H2,1-2H3,(H,27,28,29)