[5-(dimethoxymethyl)-3-oxidanylidene-cyclohexen-1-yl] 2-chloranyl-4-methylsulfonyl-benzoate

Systemtic Name: [5-(dimethoxymethyl)-3-oxidanylidene-cyclohexen-1-yl] 2-chloranyl-4-methylsulfonyl-benzoate Openeye Name: [5-(dimethoxymethyl)-3-oxo-cyclohexen-1-yl] 2-chloro-4-methylsulfonyl-benzoate CAS Name: 2-chloro-4-methylsulfonylbenzoic acid [5-(dimethoxymethyl)-3-oxo-1-cyclohexenyl] ester IUPAC Name: [5-(dimethoxymethyl)-3-oxocyclohexen-1-yl] 2-chloro-4-methylsulfonylbenzoate Traditional Name: 2-chloro-4-mesyl-benzoic acid [5-(dimethoxymethyl)-3-keto-cyclohexen-1-yl] ester Formula: C17H19ClO7S MolecularWeight: 402.84656

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Descriptors Computed from Structure

Canonical SMILES:

COC(C1CC(=CC(=O)C1)OC(=O)C2=C(C=C(C=C2)S(=O)(=O)C)Cl)OC

Isomeric SMILES

COC(C1CC(=CC(=O)C1)OC(=O)C2=C(C=C(C=C2)S(=O)(=O)C)Cl)OC

InChI

InChI=1S/C17H19ClO7S/c1-23-17(24-2)10-6-11(19)8-12(7-10)25-16(20)14-5-4-13(9-15(14)18)26(3,21)22/h4-5,8-10,17H,6-7H2,1-3H3