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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCCC(=C1)S(=O)(=O)O

Isomeric SMILES

CC1=CCCC(=C1)S(=O)(=O)O

InChI

InChI=1S/C7H10O3S/c1-6-3-2-4-7(5-6)11(8,9)10/h3,5H,2,4H2,1H3,(H,8,9,10)