4-methylaniline; propane; sulfate

Systemtic Name: 4-methylaniline; propane; sulfate Openeye Name: 4-methylaniline; propane; sulfate CAS Name: 4-methylaniline; propane; sulfate IUPAC Name: 4-methylaniline; propane; sulfate Traditional Name: n-propane; p-toluidine; sulfate Formula: C10H17NO4S-2 MolecularWeight: 247.31128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H9N.C3H8.H2O4S/c1-6-2-4-7(8)5-3-6;1-3-2;1-5(2,3)4/h2-5H,8H2,1H3;3H2,1-2H3;(H2,1,2,3,4)/p-2