5-methylcyclohexa-1,5-diene-1-sulfonic acid

Systemtic Name: 5-methylcyclohexa-1,5-diene-1-sulfonic acid Openeye Name: 5-methylcyclohexa-1,5-diene-1-sulfonic acid CAS Name: 5-methyl-1-cyclohexa-1,5-dienesulfonic acid IUPAC Name: 5-methylcyclohexa-1,5-diene-1-sulfonic acid Traditional Name: 5-methylcyclohexa-1,5-diene-1-sulfonic acid Formula: C7H10O3S MolecularWeight: 174.2175

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CCC1)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=CCC1)S(=O)(=O)O

InChI

InChI=1S/C7H10O3S/c1-6-3-2-4-7(5-6)11(8,9)10/h4-5H,2-3H2,1H3,(H,8,9,10)