hexadecan-1-amine; methyl butane-2-sulfonate

Systemtic Name: hexadecan-1-amine; methyl butane-2-sulfonate Openeye Name: hexadecan-1-amine; methyl butane-2-sulfonate CAS Name: 2-butanesulfonic acid; 1-hexadecanamine IUPAC Name: hexadecan-1-amine; methyl butane-2-sulfonate Traditional Name: butane-2-sulfonic acid methyl ester; cetylamine Formula: C21H47NO3S MolecularWeight: 393.66778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN.CCC(C)S(=O)(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCN.CCC(C)S(=O)(=O)OC

InChI

InChI=1S/C16H35N.C5H12O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;1-4-5(2)9(6,7)8-3/h2-17H2,1H3;5H,4H2,1-3H3