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

Systemtic Name: 7-[6-(2-methylsulfonyloxy-1-oxidanyl-heptyl)-3-oxidanylidene-4-bicyclo[3.1.0]hexanyl]hept-5-ynoic acid Openeye Name: 7-[6-(1-hydroxy-2-methylsulfonyloxy-heptyl)-3-oxo-4-bicyclo[3.1.0]hexanyl]hept-5-ynoic acid CAS Name: 7-[6-(1-hydroxy-2-methylsulfonyloxyheptyl)-3-oxo-4-bicyclo[3.1.0]hexanyl]-5-heptynoic acid IUPAC Name: 7-[6-(1-hydroxy-2-methylsulfonyloxyheptyl)-3-oxo-4-bicyclo[3.1.0]hexanyl]hept-5-ynoic acid Traditional Name: 7-[6-(1-hydroxy-2-methylsulfonyloxy-heptyl)-3-keto-4-bicyclo[3.1.0]hexanyl]hept-5-ynoic acid Formula: C21H32O7S MolecularWeight: 428.53958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32O7S/c1-3-4-7-11-17(28-29(2,26)27)21(25)20-15-13-16(22)14(19(15)20)10-8-5-6-9-12-18(23)24/h14-15,17,19-21,25H,3-4,6-7,9-13H2,1-2H3,(H,23,24)