methyl 3-[2,6-bis(oxidanylidene)cyclohexyl]carbonyl-2-chloranyl-6-methylsulfonyl-benzoate

Systemtic Name: methyl 3-[2,6-bis(oxidanylidene)cyclohexyl]carbonyl-2-chloranyl-6-methylsulfonyl-benzoate Openeye Name: methyl 2-chloro-3-(2,6-dioxocyclohexanecarbonyl)-6-methylsulfonyl-benzoate CAS Name: 2-chloro-3-[(2,6-dioxocyclohexyl)-oxomethyl]-6-methylsulfonylbenzoic acid methyl ester IUPAC Name: methyl 2-chloro-3-(2,6-dioxocyclohexanecarbonyl)-6-methylsulfonylbenzoate Traditional Name: 2-chloro-3-(2,6-diketocyclohexanecarbonyl)-6-mesyl-benzoic acid methyl ester Formula: C16H15ClO7S MolecularWeight: 386.8041

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1Cl)C(=O)C2C(=O)CCCC2=O)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1Cl)C(=O)C2C(=O)CCCC2=O)S(=O)(=O)C

InChI

InChI=1S/C16H15ClO7S/c1-24-16(21)13-11(25(2,22)23)7-6-8(14(13)17)15(20)12-9(18)4-3-5-10(12)19/h6-7,12H,3-5H2,1-2H3