2,6-dimethylcyclohexa-1,5-diene-1-sulfonic acid

Systemtic Name: 2,6-dimethylcyclohexa-1,5-diene-1-sulfonic acid Openeye Name: 2,6-dimethylcyclohexa-1,5-diene-1-sulfonic acid CAS Name: 2,6-dimethyl-1-cyclohexa-1,5-dienesulfonic acid IUPAC Name: 2,6-dimethylcyclohexa-1,5-diene-1-sulfonic acid Traditional Name: 2,6-dimethylcyclohexa-1,5-diene-1-sulfonic acid Formula: C8H12O3S MolecularWeight: 188.24408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CCC1)C)S(=O)(=O)O

Isomeric SMILES

CC1=C(C(=CCC1)C)S(=O)(=O)O

InChI

InChI=1S/C8H12O3S/c1-6-4-3-5-7(2)8(6)12(9,10)11/h4H,3,5H2,1-2H3,(H,9,10,11)