3-(aminomethyl)-5-tert-butyl-2-oxidanyl-benzoic acid hydrochloride

Systemtic Name: 3-(aminomethyl)-5-tert-butyl-2-oxidanyl-benzoic acid hydrochloride Openeye Name: 3-(aminomethyl)-5-tert-butyl-2-hydroxy-benzoic acid hydrochloride CAS Name: 3-(aminomethyl)-5-tert-butyl-2-hydroxybenzoic acid hydrochloride IUPAC Name: 3-(aminomethyl)-5-tert-butyl-2-hydroxybenzoic acid hydrochloride Traditional Name: 3-(aminomethyl)-5-tert-butyl-2-hydroxy-benzoic acid hydrochloride Formula: C12H18ClNO3 MolecularWeight: 259.72922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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