4-azanylbenzoyl bromide; ethanesulfonate

Systemtic Name: 4-azanylbenzoyl bromide; ethanesulfonate Openeye Name: 4-aminobenzoyl bromide; ethanesulfonate CAS Name: 4-aminobenzoyl bromide; ethanesulfonate IUPAC Name: 4-aminobenzoyl bromide; ethanesulfonate Traditional Name: 4-aminobenzoyl bromide esylate Formula: C9H11BrNO4S- MolecularWeight: 309.15694

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)[O-].C1=CC(=CC=C1C(=O)Br)N

Isomeric SMILES

CCS(=O)(=O)[O-].C1=CC(=CC=C1C(=O)Br)N

InChI

InChI=1S/C7H6BrNO.C2H6O3S/c8-7(10)5-1-3-6(9)4-2-5;1-2-6(3,4)5/h1-4H,9H2;2H2,1H3,(H,3,4,5)/p-1