[2-(2,5-dimethylphenyl)-2-oxidanyl-ethyl]-propan-2-yl-azanium sulfate

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanyl-ethyl]-propan-2-yl-azanium sulfate Openeye Name: [2-(2,5-dimethylphenyl)-2-hydroxy-ethyl]-isopropyl-ammonium sulfate CAS Name: [2-(2,5-dimethylphenyl)-2-hydroxyethyl]-propan-2-ylammonium sulfate IUPAC Name: [2-(2,5-dimethylphenyl)-2-hydroxyethyl]-propan-2-ylazanium sulfate Traditional Name: [2-(2,5-dimethylphenyl)-2-hydroxy-ethyl]-isopropyl-ammonium sulfate Formula: C26H44N2O6S MolecularWeight: 512.70236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C13H21NO.H2O4S/c2*1-9(2)14-8-13(15)12-7-10(3)5-6-11(12)4;1-5(2,3)4/h2*5-7,9,13-15H,8H2,1-4H3;(H2,1,2,3,4)