ethyl-(2-methyl-4-oxidanyl-phenyl)azanium sulfate

Systemtic Name: ethyl-(2-methyl-4-oxidanyl-phenyl)azanium sulfate Openeye Name: ethyl-(4-hydroxy-2-methyl-phenyl)ammonium sulfate CAS Name: ethyl-(4-hydroxy-2-methylphenyl)ammonium sulfate IUPAC Name: ethyl-(4-hydroxy-2-methylphenyl)azanium sulfate Traditional Name: ethyl-(4-hydroxy-2-methyl-phenyl)ammonium sulfate Formula: C18H28N2O6S MolecularWeight: 400.48972

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH2+]C1=C(C=C(C=C1)O)C.CC[NH2+]C1=C(C=C(C=C1)O)C.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CC[NH2+]C1=C(C=C(C=C1)O)C.CC[NH2+]C1=C(C=C(C=C1)O)C.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C9H13NO.H2O4S/c2*1-3-10-9-5-4-8(11)6-7(9)2;1-5(2,3)4/h2*4-6,10-11H,3H2,1-2H3;(H2,1,2,3,4)