N',N'-dimethylpropane-1,3-diamine; dimethyl sulfate; 12-oxidanyloctadecanoic acid

Systemtic Name: N',N'-dimethylpropane-1,3-diamine; dimethyl sulfate; 12-oxidanyloctadecanoic acid Openeye Name: N',N'-dimethylpropane-1,3-diamine; dimethyl sulfate; 12-hydroxyoctadecanoic acid CAS Name: N',N'-dimethylpropane-1,3-diamine; 12-hydroxyoctadecanoic acid; sulfuric acid dimethyl ester IUPAC Name: N',N'-dimethylpropane-1,3-diamine; dimethyl sulfate; 12-hydroxyoctadecanoic acid Traditional Name: 3-aminopropyl(dimethyl)amine; 12-hydroxystearic acid; sulfuric acid dimethyl ester Formula: C25H56N2O7S MolecularWeight: 528.78634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCCCCCCCC(=O)O)O.CN(C)CCCN.COS(=O)(=O)OC

Isomeric SMILES

CCCCCCC(CCCCCCCCCCC(=O)O)O.CN(C)CCCN.COS(=O)(=O)OC

InChI

InChI=1S/C18H36O3.C5H14N2.C2H6O4S/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;1-7(2)5-3-4-6;1-5-7(3,4)6-2/h17,19H,2-16H2,1H3,(H,20,21);3-6H2,1-2H3;1-2H3