[5-(2-azaniumylethyl)-2-oxidanyl-phenyl] sulfate

Systemtic Name: [5-(2-azaniumylethyl)-2-oxidanyl-phenyl] sulfate Openeye Name: [5-(2-azaniumylethyl)-2-hydroxy-phenyl] sulfate CAS Name: [5-(2-ammonioethyl)-2-hydroxyphenyl] sulfate IUPAC Name: [5-(2-azaniumylethyl)-2-hydroxyphenyl] sulfate Traditional Name: [5-(2-ammonioethyl)-2-hydroxy-phenyl] sulfate Formula: C8H11NO5S MolecularWeight: 233.24164

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC[NH3+])OS(=O)(=O)[O-])O

Isomeric SMILES

C1=CC(=C(C=C1CC[NH3+])OS(=O)(=O)[O-])O

InChI

InChI=1S/C8H11NO5S/c9-4-3-6-1-2-7(10)8(5-6)14-15(11,12)13/h1-2,5,10H,3-4,9H2,(H,11,12,13)