5-(2-azanylethyl)naphthalene-1,2-diol; ethanoic acid; hydrochloride

Systemtic Name: 5-(2-azanylethyl)naphthalene-1,2-diol; ethanoic acid; hydrochloride Openeye Name: acetic acid; 5-(2-aminoethyl)naphthalene-1,2-diol; hydrochloride CAS Name: acetic acid; 5-(2-aminoethyl)naphthalene-1,2-diol; hydrochloride IUPAC Name: acetic acid; 5-(2-aminoethyl)naphthalene-1,2-diol; hydrochloride Traditional Name: acetic acid; 5-(2-aminoethyl)naphthalene-1,2-diol; hydrochloride Formula: C16H22ClNO6 MolecularWeight: 359.80198

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.CC(=O)O.C1=CC2=C(C=CC(=C2O)O)C(=C1)CCN.Cl

Isomeric SMILES

CC(=O)O.CC(=O)O.C1=CC2=C(C=CC(=C2O)O)C(=C1)CCN.Cl

InChI

InChI=1S/C12H13NO2.2C2H4O2.ClH/c13-7-6-8-2-1-3-10-9(8)4-5-11(14)12(10)15;2*1-2(3)4;/h1-5,14-15H,6-7,13H2;2*1H3,(H,3,4);1H