7-[2-(2-methyl-2-oxidanyl-heptyl)sulfanyl-3-oxidanyl-5-oxidanylidene-cyclopentyl]heptanoic acid; 7-(3-oxidanyl-5-oxidanylidene-cyclopenten-1-yl)heptanoic acid

Systemtic Name: 7-[2-(2-methyl-2-oxidanyl-heptyl)sulfanyl-3-oxidanyl-5-oxidanylidene-cyclopentyl]heptanoic acid; 7-(3-oxidanyl-5-oxidanylidene-cyclopenten-1-yl)heptanoic acid Openeye Name: 7-[3-hydroxy-2-(2-hydroxy-2-methyl-heptyl)sulfanyl-5-oxo-cyclopentyl]heptanoic acid; 7-(3-hydroxy-5-oxo-cyclopenten-1-yl)heptanoic acid CAS Name: 7-[3-hydroxy-2-[(2-hydroxy-2-methylheptyl)thio]-5-oxocyclopentyl]heptanoic acid; 7-(3-hydroxy-5-oxo-1-cyclopentenyl)heptanoic acid IUPAC Name: 7-[3-hydroxy-2-(2-hydroxy-2-methylheptyl)sulfanyl-5-oxocyclopentyl]heptanoic acid; 7-(3-hydroxy-5-oxocyclopenten-1-yl)heptanoic acid Traditional Name: 7-[3-hydroxy-2-[(2-hydroxy-2-methyl-heptyl)thio]-5-keto-cyclopentyl]enanthic acid; 7-(3-hydroxy-5-keto-cyclopenten-1-yl)enanthic acid Formula: C32H54O9S MolecularWeight: 614.83076

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(CSC1C(CC(=O)C1CCCCCCC(=O)O)O)O.C1C(C=C(C1=O)CCCCCCC(=O)O)O

Isomeric SMILES

CCCCCC(C)(CSC1C(CC(=O)C1CCCCCCC(=O)O)O)O.C1C(C=C(C1=O)CCCCCCC(=O)O)O

InChI

InChI=1S/C20H36O5S.C12H18O4/c1-3-4-9-12-20(2,25)14-26-19-15(16(21)13-17(19)22)10-7-5-6-8-11-18(23)24;13-10-7-9(11(14)8-10)5-3-1-2-4-6-12(15)16/h15,17,19,22,25H,3-14H2,1-2H3,(H,23,24);7,10,13H,1-6,8H2,(H,15,16)