7-[3-(methylsulfonylmethyl)-2-[(E)-oct-1-enyl]-5-oxidanylidene-cyclopentyl]-2-oxidanyl-heptanoic acid

Systemtic Name: 7-[3-(methylsulfonylmethyl)-2-[(E)-oct-1-enyl]-5-oxidanylidene-cyclopentyl]-2-oxidanyl-heptanoic acid Openeye Name: 2-hydroxy-7-[3-(methylsulfonylmethyl)-2-[(E)-oct-1-enyl]-5-oxo-cyclopentyl]heptanoic acid CAS Name: 2-hydroxy-7-[3-(methylsulfonylmethyl)-2-[(E)-oct-1-enyl]-5-oxocyclopentyl]heptanoic acid IUPAC Name: 2-hydroxy-7-[3-(methylsulfonylmethyl)-2-[(E)-oct-1-enyl]-5-oxocyclopentyl]heptanoic acid Traditional Name: 2-hydroxy-7-[5-keto-3-(mesylmethyl)-2-[(E)-oct-1-enyl]cyclopentyl]enanthic acid Formula: C22H38O6S MolecularWeight: 430.59852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CC1C(CC(=O)C1CCCCCC(C(=O)O)O)CS(=O)(=O)C

Isomeric SMILES

CCCCCC/C=C/C1C(CC(=O)C1CCCCCC(C(=O)O)O)CS(=O)(=O)C

InChI

InChI=1S/C22H38O6S/c1-3-4-5-6-7-9-12-18-17(16-29(2,27)28)15-21(24)19(18)13-10-8-11-14-20(23)22(25)26/h9,12,17-20,23H,3-8,10-11,13-16H2,1-2H3,(H,25,26)/b12-9+