4-chloranyl-3-sulfonyl-cyclohexa-1,5-diene-1-carboxylic acid

Systemtic Name: 4-chloranyl-3-sulfonyl-cyclohexa-1,5-diene-1-carboxylic acid Openeye Name: 4-chloro-3-sulfonyl-cyclohexa-1,5-diene-1-carboxylic acid CAS Name: 4-chloro-3-sulfonyl-1-cyclohexa-1,5-dienecarboxylic acid IUPAC Name: 4-chloro-3-sulfonylcyclohexa-1,5-diene-1-carboxylic acid Traditional Name: 4-chloro-3-sulfonyl-cyclohexa-1,5-diene-1-carboxylic acid Formula: C7H5ClO4S MolecularWeight: 220.6302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=S(=O)=O)C1Cl)C(=O)O

Isomeric SMILES

C1=CC(=CC(=S(=O)=O)C1Cl)C(=O)O

InChI

InChI=1S/C7H5ClO4S/c8-5-2-1-4(7(9)10)3-6(5)13(11)12/h1-3,5H,(H,9,10)