5-chloranyl-4-ethyl-2-oxidanyl-benzenesulfonic acid

Systemtic Name: 5-chloranyl-4-ethyl-2-oxidanyl-benzenesulfonic acid Openeye Name: 5-chloro-4-ethyl-2-hydroxy-benzenesulfonic acid CAS Name: 5-chloro-4-ethyl-2-hydroxybenzenesulfonic acid IUPAC Name: 5-chloro-4-ethyl-2-hydroxybenzenesulfonic acid Traditional Name: 5-chloro-4-ethyl-2-hydroxy-besylic acid Formula: C8H9ClO4S MolecularWeight: 236.67266

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1Cl)S(=O)(=O)O)O

Isomeric SMILES

CCC1=CC(=C(C=C1Cl)S(=O)(=O)O)O

InChI

InChI=1S/C8H9ClO4S/c1-2-5-3-7(10)8(4-6(5)9)14(11,12)13/h3-4,10H,2H2,1H3,(H,11,12,13)