dodecanoate; 4-methylaniline; sulfate

Systemtic Name: dodecanoate; 4-methylaniline; sulfate Openeye Name: dodecanoate; 4-methylaniline; sulfate CAS Name: dodecanoate; 4-methylaniline; sulfate IUPAC Name: dodecanoate; 4-methylaniline; sulfate Traditional Name: laurate; p-toluidine; sulfate Formula: C19H32NO6S-3 MolecularWeight: 402.52548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)[O-].CC1=CC=C(C=C1)N.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC(=O)[O-].CC1=CC=C(C=C1)N.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C12H24O2.C7H9N.H2O4S/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-6-2-4-7(8)5-3-6;1-5(2,3)4/h2-11H2,1H3,(H,13,14);2-5H,8H2,1H3;(H2,1,2,3,4)/p-3