5,5-bis(methylsulfanyl)-2-oxidanyl-4-phenyl-cyclopent-2-en-1-one

Systemtic Name: 5,5-bis(methylsulfanyl)-2-oxidanyl-4-phenyl-cyclopent-2-en-1-one Openeye Name: 2-hydroxy-5,5-bis(methylsulfanyl)-4-phenyl-cyclopent-2-en-1-one CAS Name: 2-hydroxy-5,5-bis(methylthio)-4-phenyl-1-cyclopent-2-enone IUPAC Name: 2-hydroxy-5,5-bis(methylsulfanyl)-4-phenylcyclopent-2-en-1-one Traditional Name: 2-hydroxy-5,5-bis(methylthio)-4-phenyl-cyclopent-2-en-1-one Formula: C13H14O2S2 MolecularWeight: 266.37906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1(C(C=C(C1=O)O)C2=CC=CC=C2)SC

Isomeric SMILES

CSC1(C(C=C(C1=O)O)C2=CC=CC=C2)SC

InChI

InChI=1S/C13H14O2S2/c1-16-13(17-2)10(8-11(14)12(13)15)9-6-4-3-5-7-9/h3-8,10,14H,1-2H3