methyl-(3-methyl-4-oxidanyl-phenyl)azanium sulfate

Systemtic Name: methyl-(3-methyl-4-oxidanyl-phenyl)azanium sulfate Openeye Name: (4-hydroxy-3-methyl-phenyl)-methyl-ammonium sulfate CAS Name: (4-hydroxy-3-methylphenyl)-methylammonium sulfate IUPAC Name: (4-hydroxy-3-methylphenyl)-methylazanium sulfate Traditional Name: (4-hydroxy-3-methyl-phenyl)-methyl-ammonium sulfate Formula: C16H24N2O6S MolecularWeight: 372.43656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[NH2+]C)O.CC1=C(C=CC(=C1)[NH2+]C)O.[O-]S(=O)(=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)[NH2+]C)O.CC1=C(C=CC(=C1)[NH2+]C)O.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/2C8H11NO.H2O4S/c2*1-6-5-7(9-2)3-4-8(6)10;1-5(2,3)4/h2*3-5,9-10H,1-2H3;(H2,1,2,3,4)