5-(1-azanyl-2-methyl-propan-2-yl)naphthalene-1,2-diol; benzoic acid; hydrochloride

Systemtic Name: 5-(1-azanyl-2-methyl-propan-2-yl)naphthalene-1,2-diol; benzoic acid; hydrochloride Openeye Name: 5-(2-amino-1,1-dimethyl-ethyl)naphthalene-1,2-diol; benzoic acid; hydrochloride CAS Name: 5-(1-amino-2-methylpropan-2-yl)naphthalene-1,2-diol; benzoic acid; hydrochloride IUPAC Name: 5-(1-amino-2-methylpropan-2-yl)naphthalene-1,2-diol; benzoic acid; hydrochloride Traditional Name: 5-(2-amino-1,1-dimethyl-ethyl)naphthalene-1,2-diol; benzoic acid; hydrochloride Formula: C28H30ClNO6 MolecularWeight: 511.9939

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN)C1=CC=CC2=C1C=CC(=C2O)O.C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O.Cl

Isomeric SMILES

CC(C)(CN)C1=CC=CC2=C1C=CC(=C2O)O.C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O.Cl

InChI

InChI=1S/C14H17NO2.2C7H6O2.ClH/c1-14(2,8-15)11-5-3-4-10-9(11)6-7-12(16)13(10)17;2*8-7(9)6-4-2-1-3-5-6;/h3-7,16-17H,8,15H2,1-2H3;2*1-5H,(H,8,9);1H