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

Systemtic Name: 2-heptylsulfanyl-4-oxidanyl-cyclopent-2-en-1-one Openeye Name: 2-heptylsulfanyl-4-hydroxy-cyclopent-2-en-1-one CAS Name: 2-(heptylthio)-4-hydroxy-1-cyclopent-2-enone IUPAC Name: 2-heptylsulfanyl-4-hydroxycyclopent-2-en-1-one Traditional Name: 2-(heptylthio)-4-hydroxy-cyclopent-2-en-1-one Formula: C12H20O2S MolecularWeight: 228.351

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=CC(CC1=O)O

Isomeric SMILES

CCCCCCCSC1=CC(CC1=O)O

InChI

InChI=1S/C12H20O2S/c1-2-3-4-5-6-7-15-12-9-10(13)8-11(12)14/h9-10,13H,2-8H2,1H3