[2-[3,5-bis(oxidanylidene)cyclohexyl]-6-methyl-phenyl] hydrogen sulfate

Systemtic Name: [2-[3,5-bis(oxidanylidene)cyclohexyl]-6-methyl-phenyl] hydrogen sulfate Openeye Name: [2-(3,5-dioxocyclohexyl)-6-methyl-phenyl] hydrogen sulfate CAS Name: sulfuric acid [2-(3,5-dioxocyclohexyl)-6-methylphenyl] ester IUPAC Name: [2-(3,5-dioxocyclohexyl)-6-methylphenyl] hydrogen sulfate Traditional Name: sulfuric acid [2-(3,5-diketocyclohexyl)-6-methyl-phenyl] ester Formula: C13H14O6S MolecularWeight: 298.31166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OS(=O)(=O)O)C2CC(=O)CC(=O)C2

Isomeric SMILES

CC1=CC=CC(=C1OS(=O)(=O)O)C2CC(=O)CC(=O)C2

InChI

InChI=1S/C13H14O6S/c1-8-3-2-4-12(13(8)19-20(16,17)18)9-5-10(14)7-11(15)6-9/h2-4,9H,5-7H2,1H3,(H,16,17,18)