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

Systemtic Name: 2-methyl-7-[3-(methylsulfonylmethyl)-2-[(E)-oct-1-enyl]-5-oxidanylidene-cyclopentyl]-2-oxidanyl-heptanoic acid Openeye Name: 2-hydroxy-2-methyl-7-[3-(methylsulfonylmethyl)-2-[(E)-oct-1-enyl]-5-oxo-cyclopentyl]heptanoic acid CAS Name: 2-hydroxy-2-methyl-7-[3-(methylsulfonylmethyl)-2-[(E)-oct-1-enyl]-5-oxocyclopentyl]heptanoic acid IUPAC Name: 2-hydroxy-2-methyl-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]-2-methyl-enanthic acid Formula: C23H40O6S MolecularWeight: 444.6251

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H40O6S/c1-4-5-6-7-8-10-13-19-18(17-30(3,28)29)16-21(24)20(19)14-11-9-12-15-23(2,27)22(25)26/h10,13,18-20,27H,4-9,11-12,14-17H2,1-3H3,(H,25,26)/b13-10+