5-chloranyl-2-oxidanyl-cyclohexa-1,5-diene-1-sulfonic acid

Systemtic Name: 5-chloranyl-2-oxidanyl-cyclohexa-1,5-diene-1-sulfonic acid Openeye Name: 5-chloro-2-hydroxy-cyclohexa-1,5-diene-1-sulfonic acid CAS Name: 5-chloro-2-hydroxy-1-cyclohexa-1,5-dienesulfonic acid IUPAC Name: 5-chloro-2-hydroxycyclohexa-1,5-diene-1-sulfonic acid Traditional Name: 5-chloro-2-hydroxy-cyclohexa-1,5-diene-1-sulfonic acid Formula: C6H7ClO4S MolecularWeight: 210.63538

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C=C1Cl)S(=O)(=O)O)O

Isomeric SMILES

C1CC(=C(C=C1Cl)S(=O)(=O)O)O

InChI

InChI=1S/C6H7ClO4S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h3,8H,1-2H2,(H,9,10,11)