2-[3-[2-[(E)-5-naphthalen-2-yl-3-oxidanyl-pent-1-enyl]-5-oxidanylidene-cyclopentyl]sulfanylpropylsulfanyl]ethanoic acid

Systemtic Name: 2-[3-[2-[(E)-5-naphthalen-2-yl-3-oxidanyl-pent-1-enyl]-5-oxidanylidene-cyclopentyl]sulfanylpropylsulfanyl]ethanoic acid Openeye Name: 2-[3-[2-[(E)-3-hydroxy-5-(2-naphthyl)pent-1-enyl]-5-oxo-cyclopentyl]sulfanylpropylsulfanyl]acetic acid CAS Name: 2-[3-[[2-[(E)-3-hydroxy-5-(2-naphthalenyl)pent-1-enyl]-5-oxocyclopentyl]thio]propylthio]acetic acid IUPAC Name: 2-[3-[2-[(E)-3-hydroxy-5-naphthalen-2-ylpent-1-enyl]-5-oxocyclopentyl]sulfanylpropylsulfanyl]acetic acid Traditional Name: 2-[3-[[2-[(E)-3-hydroxy-5-(2-naphthyl)pent-1-enyl]-5-keto-cyclopentyl]thio]propylthio]acetic acid Formula: C25H30O4S2 MolecularWeight: 458.6333

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C(C1C=CC(CCC2=CC3=CC=CC=C3C=C2)O)SCCCSCC(=O)O

Isomeric SMILES

C1CC(=O)C(C1/C=C/C(CCC2=CC3=CC=CC=C3C=C2)O)SCCCSCC(=O)O

InChI

InChI=1S/C25H30O4S2/c26-22(11-7-18-6-8-19-4-1-2-5-21(19)16-18)12-9-20-10-13-23(27)25(20)31-15-3-14-30-17-24(28)29/h1-2,4-6,8-9,12,16,20,22,25-26H,3,7,10-11,13-15,17H2,(H,28,29)/b12-9+