[4-(2-azanylethyl)phenyl] hydrogen sulfite

Systemtic Name: [4-(2-azanylethyl)phenyl] hydrogen sulfite Openeye Name: [4-(2-aminoethyl)phenyl] hydrogen sulfite CAS Name: sulfurous acid [4-(2-aminoethyl)phenyl] ester IUPAC Name: [4-(2-aminoethyl)phenyl] hydrogen sulfite Traditional Name: sulfurous acid [4-(2-aminoethyl)phenyl] ester Formula: C8H11NO3S MolecularWeight: 201.24284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCN)OS(=O)O

Isomeric SMILES

C1=CC(=CC=C1CCN)OS(=O)O

InChI

InChI=1S/C8H11NO3S/c9-6-5-7-1-3-8(4-2-7)12-13(10)11/h1-4H,5-6,9H2,(H,10,11)