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

Systemtic Name: 5-chloranyl-4-methyl-2-oxidanyl-benzenesulfonic acid Openeye Name: 5-chloro-2-hydroxy-4-methyl-benzenesulfonic acid CAS Name: 5-chloro-2-hydroxy-4-methylbenzenesulfonic acid IUPAC Name: 5-chloro-2-hydroxy-4-methylbenzenesulfonic acid Traditional Name: 5-chloro-2-hydroxy-4-methyl-besylic acid Formula: C7H7ClO4S MolecularWeight: 222.64608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)S(=O)(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1Cl)S(=O)(=O)O)O

InChI

InChI=1S/C7H7ClO4S/c1-4-2-6(9)7(3-5(4)8)13(10,11)12/h2-3,9H,1H3,(H,10,11,12)