2,2-dimethylpropanoic acid; 4-[2-(methylamino)-1-oxidanyl-propyl]benzene-1,2-diol

Systemtic Name: 2,2-dimethylpropanoic acid; 4-[2-(methylamino)-1-oxidanyl-propyl]benzene-1,2-diol Openeye Name: 2,2-dimethylpropanoic acid; 4-[1-hydroxy-2-(methylamino)propyl]benzene-1,2-diol CAS Name: 2,2-dimethylpropanoic acid; 4-[1-hydroxy-2-(methylamino)propyl]benzene-1,2-diol IUPAC Name: 2,2-dimethylpropanoic acid; 4-[1-hydroxy-2-(methylamino)propyl]benzene-1,2-diol Traditional Name: 2,2-dimethylpropionic acid; 4-[1-hydroxy-2-(methylamino)propyl]pyrocatechol Formula: C20H35NO7 MolecularWeight: 401.4944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC(=C(C=C1)O)O)O)NC.CC(C)(C)C(=O)O.CC(C)(C)C(=O)O

Isomeric SMILES

CC(C(C1=CC(=C(C=C1)O)O)O)NC.CC(C)(C)C(=O)O.CC(C)(C)C(=O)O

InChI

InChI=1S/C10H15NO3.2C5H10O2/c1-6(11-2)10(14)7-3-4-8(12)9(13)5-7;2*1-5(2,3)4(6)7/h3-6,10-14H,1-2H3;2*1-3H3,(H,6,7)