4-(2-azanyl-1-oxidanyl-ethyl)benzene-1,2-diol; barium(2+); chloride

Systemtic Name: 4-(2-azanyl-1-oxidanyl-ethyl)benzene-1,2-diol; barium(2+); chloride Openeye Name: 4-(2-amino-1-hydroxy-ethyl)benzene-1,2-diol; barium(2+); chloride CAS Name: 4-(2-amino-1-hydroxyethyl)benzene-1,2-diol; barium(2+); chloride IUPAC Name: 4-(2-amino-1-hydroxyethyl)benzene-1,2-diol; barium(2+); chloride Traditional Name: 4-(2-amino-1-hydroxy-ethyl)pyrocatechol; barium(2+); chloride Formula: C8H11BaClNO3+ MolecularWeight: 341.95784

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(CN)O)O)O.[Cl-].[Ba+2]

Isomeric SMILES

C1=CC(=C(C=C1C(CN)O)O)O.[Cl-].[Ba+2]

InChI

InChI=1S/C8H11NO3.Ba.ClH/c9-4-8(12)5-1-2-6(10)7(11)3-5;;/h1-3,8,10-12H,4,9H2;;1H/q;+2;/p-1