1-[3,4-bis(oxidanyl)phenyl]-2-(tert-butylamino)ethanone hydrochloride

Systemtic Name: 1-[3,4-bis(oxidanyl)phenyl]-2-(tert-butylamino)ethanone hydrochloride Openeye Name: 2-(tert-butylamino)-1-(3,4-dihydroxyphenyl)ethanone hydrochloride CAS Name: 2-(tert-butylamino)-1-(3,4-dihydroxyphenyl)ethanone hydrochloride IUPAC Name: 2-(tert-butylamino)-1-(3,4-dihydroxyphenyl)ethanone hydrochloride Traditional Name: 2-(tert-butylamino)-1-(3,4-dihydroxyphenyl)ethanone hydrochloride Formula: C12H18ClNO3 MolecularWeight: 259.72922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO3.ClH/c1-12(2,3)13-7-11(16)8-4-5-9(14)10(15)6-8;/h4-6,13-15H,7H2,1-3H3;1H