2-methylcyclohexa-1,3-diene-1-sulfonic acid

Systemtic Name: 2-methylcyclohexa-1,3-diene-1-sulfonic acid Openeye Name: 2-methylcyclohexa-1,3-diene-1-sulfonic acid CAS Name: 2-methyl-1-cyclohexa-1,3-dienesulfonic acid IUPAC Name: 2-methylcyclohexa-1,3-diene-1-sulfonic acid Traditional Name: 2-methylcyclohexa-1,3-diene-1-sulfonic acid Formula: C7H10O3S MolecularWeight: 174.2175

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CCC=C1)S(=O)(=O)O

Isomeric SMILES

CC1=C(CCC=C1)S(=O)(=O)O

InChI

InChI=1S/C7H10O3S/c1-6-4-2-3-5-7(6)11(8,9)10/h2,4H,3,5H2,1H3,(H,8,9,10)