[2-methyl-3,6-bis(oxidanylidene)-5-propan-2-yl-cyclohexa-1,4-dien-1-yl] methanesulfonate

Systemtic Name: [2-methyl-3,6-bis(oxidanylidene)-5-propan-2-yl-cyclohexa-1,4-dien-1-yl] methanesulfonate Openeye Name: (5-isopropyl-2-methyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl) methanesulfonate CAS Name: methanesulfonic acid (2-methyl-3,6-dioxo-5-propan-2-yl-1-cyclohexa-1,4-dienyl) ester IUPAC Name: (2-methyl-3,6-dioxo-5-propan-2-ylcyclohexa-1,4-dien-1-yl) methanesulfonate Traditional Name: methanesulfonic acid (5-isopropyl-3,6-diketo-2-methyl-cyclohexa-1,4-dien-1-yl) ester Formula: C11H14O5S MolecularWeight: 258.29086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C(=CC1=O)C(C)C)OS(=O)(=O)C

Isomeric SMILES

CC1=C(C(=O)C(=CC1=O)C(C)C)OS(=O)(=O)C

InChI

InChI=1S/C11H14O5S/c1-6(2)8-5-9(12)7(3)11(10(8)13)16-17(4,14)15/h5-6H,1-4H3