3-methyl-5,6-bis(oxidanylidene)cyclohexa-1,3-diene-1-sulfonic acid

Systemtic Name: 3-methyl-5,6-bis(oxidanylidene)cyclohexa-1,3-diene-1-sulfonic acid Openeye Name: 3-methyl-5,6-dioxo-cyclohexa-1,3-diene-1-sulfonic acid CAS Name: 3-methyl-5,6-dioxo-1-cyclohexa-1,3-dienesulfonic acid IUPAC Name: 3-methyl-5,6-dioxocyclohexa-1,3-diene-1-sulfonic acid Traditional Name: 5,6-diketo-3-methyl-cyclohexa-1,3-diene-1-sulfonic acid Formula: C7H6O5S MolecularWeight: 202.18454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H6O5S/c1-4-2-5(8)7(9)6(3-4)13(10,11)12/h2-3H,1H3,(H,10,11,12)