3-bromanylaniline sulfate

Systemtic Name: 3-bromanylaniline sulfate Openeye Name: 3-bromoaniline sulfate CAS Name: 3-bromoaniline sulfate IUPAC Name: 3-bromoaniline sulfate Traditional Name: (3-bromophenyl)amine sulfate Formula: C6H6BrNO4S-2 MolecularWeight: 268.08514

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)N.[O-]S(=O)(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Br)N.[O-]S(=O)(=O)[O-]

InChI

InChI=1S/C6H6BrN.H2O4S/c7-5-2-1-3-6(8)4-5;1-5(2,3)4/h1-4H,8H2;(H2,1,2,3,4)/p-2