3-chloranyl-4-methyl-cyclohexa-1,3-diene-1-sulfonic acid

Systemtic Name: 3-chloranyl-4-methyl-cyclohexa-1,3-diene-1-sulfonic acid Openeye Name: 3-chloro-4-methyl-cyclohexa-1,3-diene-1-sulfonic acid CAS Name: 3-chloro-4-methyl-1-cyclohexa-1,3-dienesulfonic acid IUPAC Name: 3-chloro-4-methylcyclohexa-1,3-diene-1-sulfonic acid Traditional Name: 3-chloro-4-methyl-cyclohexa-1,3-diene-1-sulfonic acid Formula: C7H9ClO3S MolecularWeight: 208.66256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(CC1)S(=O)(=O)O)Cl

Isomeric SMILES

CC1=C(C=C(CC1)S(=O)(=O)O)Cl

InChI

InChI=1S/C7H9ClO3S/c1-5-2-3-6(4-7(5)8)12(9,10)11/h4H,2-3H2,1H3,(H,9,10,11)