2-octylsulfanyl-4-oxidanyl-cyclopent-2-en-1-one

Systemtic Name: 2-octylsulfanyl-4-oxidanyl-cyclopent-2-en-1-one Openeye Name: 4-hydroxy-2-octylsulfanyl-cyclopent-2-en-1-one CAS Name: 4-hydroxy-2-(octylthio)-1-cyclopent-2-enone IUPAC Name: 4-hydroxy-2-octylsulfanylcyclopent-2-en-1-one Traditional Name: 4-hydroxy-2-(octylthio)cyclopent-2-en-1-one Formula: C13H22O2S MolecularWeight: 242.37758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=CC(CC1=O)O

Isomeric SMILES

CCCCCCCCSC1=CC(CC1=O)O

InChI

InChI=1S/C13H22O2S/c1-2-3-4-5-6-7-8-16-13-10-11(14)9-12(13)15/h10-11,14H,2-9H2,1H3