4-azanyl-2-chloranyl-5-ethanoyl-benzenesulfonic acid

Systemtic Name: 4-azanyl-2-chloranyl-5-ethanoyl-benzenesulfonic acid Openeye Name: 5-acetyl-4-amino-2-chloro-benzenesulfonic acid CAS Name: 5-acetyl-4-amino-2-chlorobenzenesulfonic acid IUPAC Name: 5-acetyl-4-amino-2-chlorobenzenesulfonic acid Traditional Name: 5-acetyl-4-amino-2-chloro-besylic acid Formula: C8H8ClNO4S MolecularWeight: 249.67142

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1N)Cl)S(=O)(=O)O

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1N)Cl)S(=O)(=O)O

InChI

InChI=1S/C8H8ClNO4S/c1-4(11)5-2-8(15(12,13)14)6(9)3-7(5)10/h2-3H,10H2,1H3,(H,12,13,14)