methyl 7-[6-(2-methylsulfonyloxy-1-oxidanyl-heptyl)-3-oxidanylidene-4-bicyclo[3.1.0]hexanyl]hept-5-ynoate

Systemtic Name: methyl 7-[6-(2-methylsulfonyloxy-1-oxidanyl-heptyl)-3-oxidanylidene-4-bicyclo[3.1.0]hexanyl]hept-5-ynoate Openeye Name: methyl 7-[6-(1-hydroxy-2-methylsulfonyloxy-heptyl)-3-oxo-4-bicyclo[3.1.0]hexanyl]hept-5-ynoate CAS Name: 7-[6-(1-hydroxy-2-methylsulfonyloxyheptyl)-3-oxo-4-bicyclo[3.1.0]hexanyl]-5-heptynoic acid methyl ester IUPAC Name: methyl 7-[6-(1-hydroxy-2-methylsulfonyloxyheptyl)-3-oxo-4-bicyclo[3.1.0]hexanyl]hept-5-ynoate Traditional Name: 7-[6-(1-hydroxy-2-methylsulfonyloxy-heptyl)-3-keto-4-bicyclo[3.1.0]hexanyl]hept-5-ynoic acid methyl ester Formula: C22H34O7S MolecularWeight: 442.56616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(C1C2C1C(C(=O)C2)CC#CCCCC(=O)OC)O)OS(=O)(=O)C

Isomeric SMILES

CCCCCC(C(C1C2C1C(C(=O)C2)CC#CCCCC(=O)OC)O)OS(=O)(=O)C

InChI

InChI=1S/C22H34O7S/c1-4-5-8-12-18(29-30(3,26)27)22(25)21-16-14-17(23)15(20(16)21)11-9-6-7-10-13-19(24)28-2/h15-16,18,20-22,25H,4-5,7-8,10-14H2,1-3H3