4-(2-azanyl-1-oxidanyl-ethyl)benzene-1,2-diol trisulfate

Systemtic Name: 4-(2-azanyl-1-oxidanyl-ethyl)benzene-1,2-diol trisulfate Openeye Name: 4-(2-amino-1-hydroxy-ethyl)benzene-1,2-diol trisulfate CAS Name: 4-(2-amino-1-hydroxyethyl)benzene-1,2-diol trisulfate IUPAC Name: 4-(2-amino-1-hydroxyethyl)benzene-1,2-diol trisulfate Traditional Name: 4-(2-amino-1-hydroxy-ethyl)pyrocatechol trisulfate Formula: C8H11NO15S3-6 MolecularWeight: 457.36564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(CN)O)O)O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1C(CN)O)O)O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C8H11NO3.3H2O4S/c9-4-8(12)5-1-2-6(10)7(11)3-5;3*1-5(2,3)4/h1-3,8,10-12H,4,9H2;3*(H2,1,2,3,4)/p-6