4-(2-azanylethyl)benzene-1,2-diol; 2,2-dimethylpropanoic acid; ethanedioic acid

Systemtic Name: 4-(2-azanylethyl)benzene-1,2-diol; 2,2-dimethylpropanoic acid; ethanedioic acid Openeye Name: 4-(2-aminoethyl)benzene-1,2-diol; 2,2-dimethylpropanoic acid; oxalic acid CAS Name: 4-(2-aminoethyl)benzene-1,2-diol; 2,2-dimethylpropanoic acid; oxalic acid IUPAC Name: 4-(2-aminoethyl)benzene-1,2-diol; 2,2-dimethylpropanoic acid; oxalic acid Traditional Name: 4-(2-aminoethyl)pyrocatechol; 2,2-dimethylpropionic acid; oxalic acid Formula: C20H33NO10 MolecularWeight: 447.47672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)O.CC(C)(C)C(=O)O.C1=CC(=C(C=C1CCN)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(C)(C)C(=O)O.CC(C)(C)C(=O)O.C1=CC(=C(C=C1CCN)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C8H11NO2.2C5H10O2.C2H2O4/c9-4-3-6-1-2-7(10)8(11)5-6;2*1-5(2,3)4(6)7;3-1(4)2(5)6/h1-2,5,10-11H,3-4,9H2;2*1-3H3,(H,6,7);(H,3,4)(H,5,6)