1-[3,5-bis(oxidanyl)phenyl]-2-(propan-2-ylamino)ethanone; sulfuric acid

Systemtic Name: 1-[3,5-bis(oxidanyl)phenyl]-2-(propan-2-ylamino)ethanone; sulfuric acid Openeye Name: 1-(3,5-dihydroxyphenyl)-2-(isopropylamino)ethanone; sulfuric acid CAS Name: 1-(3,5-dihydroxyphenyl)-2-(propan-2-ylamino)ethanone; sulfuric acid IUPAC Name: 1-(3,5-dihydroxyphenyl)-2-(propan-2-ylamino)ethanone; sulfuric acid Traditional Name: 1-(3,5-dihydroxyphenyl)-2-(isopropylamino)ethanone; sulfuric acid Formula: C22H32N2O10S MolecularWeight: 516.56188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(=O)C1=CC(=CC(=C1)O)O.CC(C)NCC(=O)C1=CC(=CC(=C1)O)O.OS(=O)(=O)O

Isomeric SMILES

CC(C)NCC(=O)C1=CC(=CC(=C1)O)O.CC(C)NCC(=O)C1=CC(=CC(=C1)O)O.OS(=O)(=O)O

InChI

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