2-[3-[2-[(E)-5-ethyl-3-oxidanyl-hept-1-enyl]-3-oxidanyl-5-oxidanylidene-cyclopentyl]sulfanylpropylsulfanyl]ethanoic acid

Systemtic Name: 2-[3-[2-[(E)-5-ethyl-3-oxidanyl-hept-1-enyl]-3-oxidanyl-5-oxidanylidene-cyclopentyl]sulfanylpropylsulfanyl]ethanoic acid Openeye Name: 2-[3-[2-[(E)-5-ethyl-3-hydroxy-hept-1-enyl]-3-hydroxy-5-oxo-cyclopentyl]sulfanylpropylsulfanyl]acetic acid CAS Name: 2-[3-[[2-[(E)-5-ethyl-3-hydroxyhept-1-enyl]-3-hydroxy-5-oxocyclopentyl]thio]propylthio]acetic acid IUPAC Name: 2-[3-[2-[(E)-5-ethyl-3-hydroxyhept-1-enyl]-3-hydroxy-5-oxocyclopentyl]sulfanylpropylsulfanyl]acetic acid Traditional Name: 2-[3-[[2-[(E)-5-ethyl-3-hydroxy-hept-1-enyl]-3-hydroxy-5-keto-cyclopentyl]thio]propylthio]acetic acid Formula: C19H32O5S2 MolecularWeight: 404.58438

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)CC(C=CC1C(CC(=O)C1SCCCSCC(=O)O)O)O

Isomeric SMILES

CCC(CC)CC(/C=C/C1C(CC(=O)C1SCCCSCC(=O)O)O)O

InChI

InChI=1S/C19H32O5S2/c1-3-13(4-2)10-14(20)6-7-15-16(21)11-17(22)19(15)26-9-5-8-25-12-18(23)24/h6-7,13-16,19-21H,3-5,8-12H2,1-2H3,(H,23,24)/b7-6+