5-(2-azanyl-2-methyl-3-oxidanyl-3-oxidanylidene-propyl)-2-oxidanyl-benzoic acid dihydrate hydrochloride

Systemtic Name: 5-(2-azanyl-2-methyl-3-oxidanyl-3-oxidanylidene-propyl)-2-oxidanyl-benzoic acid dihydrate hydrochloride Openeye Name: 5-(2-amino-3-hydroxy-2-methyl-3-oxo-propyl)-2-hydroxy-benzoic acid dihydrate hydrochloride CAS Name: 5-(2-amino-3-hydroxy-2-methyl-3-oxopropyl)-2-hydroxybenzoic acid dihydrate hydrochloride IUPAC Name: 5-(2-amino-3-hydroxy-2-methyl-3-oxopropyl)-2-hydroxybenzoic acid dihydrate hydrochloride Traditional Name: 5-(2-amino-3-hydroxy-3-keto-2-methyl-propyl)-2-hydroxy-benzoic acid dihydrate hydrochloride Formula: C11H18ClNO7 MolecularWeight: 311.71612

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=C(C=C1)O)C(=O)O)(C(=O)O)N.O.O.Cl

Isomeric SMILES

CC(CC1=CC(=C(C=C1)O)C(=O)O)(C(=O)O)N.O.O.Cl

InChI

InChI=1S/C11H13NO5.ClH.2H2O/c1-11(12,10(16)17)5-6-2-3-8(13)7(4-6)9(14)15;;;/h2-4,13H,5,12H2,1H3,(H,14,15)(H,16,17);1H;2*1H2