2-chloranyl-4-cyano-benzenesulfonic acid

Systemtic Name: 2-chloranyl-4-cyano-benzenesulfonic acid Openeye Name: 2-chloro-4-cyano-benzenesulfonic acid CAS Name: 2-chloro-4-cyanobenzenesulfonic acid IUPAC Name: 2-chloro-4-cyanobenzenesulfonic acid Traditional Name: 2-chloro-4-cyano-besylic acid Formula: C7H4ClNO3S MolecularWeight: 217.62956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C#N)Cl)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C#N)Cl)S(=O)(=O)O

InChI

InChI=1S/C7H4ClNO3S/c8-6-3-5(4-9)1-2-7(6)13(10,11)12/h1-3H,(H,10,11,12)