5-[(2-methylfuran-3-yl)disulfanyl]heptan-3-one

Systemtic Name: 5-[(2-methylfuran-3-yl)disulfanyl]heptan-3-one Openeye Name: 5-[(2-methyl-3-furyl)disulfanyl]heptan-3-one CAS Name: 5-[(2-methyl-3-furanyl)disulfanyl]-3-heptanone IUPAC Name: 5-[(2-methylfuran-3-yl)disulfanyl]heptan-3-one Traditional Name: 5-[(2-methyl-3-furyl)disulfanyl]heptan-3-one Formula: C12H18O2S2 MolecularWeight: 258.40012

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(=O)CC)SSC1=C(OC=C1)C

Isomeric SMILES

CCC(CC(=O)CC)SSC1=C(OC=C1)C

InChI

InChI=1S/C12H18O2S2/c1-4-10(13)8-11(5-2)15-16-12-6-7-14-9(12)3/h6-7,11H,4-5,8H2,1-3H3