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

Systemtic Name: [5-(1-methylsulfanylcyclopropyl)-3-oxidanylidene-cyclohexen-1-yl] 2-chloranyl-4-methylsulfonyl-benzoate Openeye Name: [5-(1-methylsulfanylcyclopropyl)-3-oxo-cyclohexen-1-yl] 2-chloro-4-methylsulfonyl-benzoate CAS Name: 2-chloro-4-methylsulfonylbenzoic acid [5-[1-(methylthio)cyclopropyl]-3-oxo-1-cyclohexenyl] ester IUPAC Name: [5-(1-methylsulfanylcyclopropyl)-3-oxocyclohexen-1-yl] 2-chloro-4-methylsulfonylbenzoate Traditional Name: 2-chloro-4-mesyl-benzoic acid [3-keto-5-[1-(methylthio)cyclopropyl]cyclohexen-1-yl] ester Formula: C18H19ClO5S2 MolecularWeight: 414.92346

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Descriptors Computed from Structure

Canonical SMILES:

CSC1(CC1)C2CC(=CC(=O)C2)OC(=O)C3=C(C=C(C=C3)S(=O)(=O)C)Cl

Isomeric SMILES

CSC1(CC1)C2CC(=CC(=O)C2)OC(=O)C3=C(C=C(C=C3)S(=O)(=O)C)Cl

InChI

InChI=1S/C18H19ClO5S2/c1-25-18(5-6-18)11-7-12(20)9-13(8-11)24-17(21)15-4-3-14(10-16(15)19)26(2,22)23/h3-4,9-11H,5-8H2,1-2H3