2-heptylsulfanyl-4-(oxan-2-yloxy)cyclopent-2-en-1-one

Systemtic Name: 2-heptylsulfanyl-4-(oxan-2-yloxy)cyclopent-2-en-1-one Openeye Name: 2-heptylsulfanyl-4-tetrahydropyran-2-yloxy-cyclopent-2-en-1-one CAS Name: 2-(heptylthio)-4-(2-oxanyloxy)-1-cyclopent-2-enone IUPAC Name: 2-heptylsulfanyl-4-(oxan-2-yloxy)cyclopent-2-en-1-one Traditional Name: 2-(heptylthio)-4-tetrahydropyran-2-yloxy-cyclopent-2-en-1-one Formula: C17H28O3S MolecularWeight: 312.46742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=CC(CC1=O)OC2CCCCO2

Isomeric SMILES

CCCCCCCSC1=CC(CC1=O)OC2CCCCO2

InChI

InChI=1S/C17H28O3S/c1-2-3-4-5-8-11-21-16-13-14(12-15(16)18)20-17-9-6-7-10-19-17/h13-14,17H,2-12H2,1H3