[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]-propan-2-yl-azanium sulfate

Systemtic Name: [2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]-propan-2-yl-azanium sulfate Openeye Name: [2-(3,4-dihydroxyphenyl)-2-oxo-ethyl]-isopropyl-ammonium sulfate CAS Name: [2-(3,4-dihydroxyphenyl)-2-oxoethyl]-propan-2-ylammonium sulfate IUPAC Name: [2-(3,4-dihydroxyphenyl)-2-oxoethyl]-propan-2-ylazanium sulfate Traditional Name: [2-(3,4-dihydroxyphenyl)-2-keto-ethyl]-isopropyl-ammonium sulfate Formula: C22H32N2O10S MolecularWeight: 516.56188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C11H15NO3.H2O4S/c2*1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8;1-5(2,3)4/h2*3-5,7,12-14H,6H2,1-2H3;(H2,1,2,3,4)