2-[3-[2-oxidanylidene-5-[(E)-3-oxidanyl-4-phenyl-but-1-enyl]cyclopentyl]sulfanylpropylsulfanyl]ethanoic acid

Systemtic Name: 2-[3-[2-oxidanylidene-5-[(E)-3-oxidanyl-4-phenyl-but-1-enyl]cyclopentyl]sulfanylpropylsulfanyl]ethanoic acid Openeye Name: 2-[3-[2-[(E)-3-hydroxy-4-phenyl-but-1-enyl]-5-oxo-cyclopentyl]sulfanylpropylsulfanyl]acetic acid CAS Name: 2-[3-[[2-[(E)-3-hydroxy-4-phenylbut-1-enyl]-5-oxocyclopentyl]thio]propylthio]acetic acid IUPAC Name: 2-[3-[2-[(E)-3-hydroxy-4-phenylbut-1-enyl]-5-oxocyclopentyl]sulfanylpropylsulfanyl]acetic acid Traditional Name: 2-[3-[[2-[(E)-3-hydroxy-4-phenyl-but-1-enyl]-5-keto-cyclopentyl]thio]propylthio]acetic acid Formula: C20H26O4S2 MolecularWeight: 394.54804

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(C1C=CC(CC2=CC=CC=C2)O)SCCCSCC(=O)O

Isomeric SMILES

C1CC(=O)C(C1/C=C/C(CC2=CC=CC=C2)O)SCCCSCC(=O)O

InChI

InChI=1S/C20H26O4S2/c21-17(13-15-5-2-1-3-6-15)9-7-16-8-10-18(22)20(16)26-12-4-11-25-14-19(23)24/h1-3,5-7,9,16-17,20-21H,4,8,10-14H2,(H,23,24)/b9-7+