2,6-dimethyl-3-(2-methylfuran-3-yl)sulfanyl-heptan-4-one

Systemtic Name: 2,6-dimethyl-3-(2-methylfuran-3-yl)sulfanyl-heptan-4-one Openeye Name: 2,6-dimethyl-3-[(2-methyl-3-furyl)sulfanyl]heptan-4-one CAS Name: 2,6-dimethyl-3-[(2-methyl-3-furanyl)thio]-4-heptanone IUPAC Name: 2,6-dimethyl-3-(2-methylfuran-3-yl)sulfanylheptan-4-one Traditional Name: 2,6-dimethyl-3-[(2-methyl-3-furyl)thio]heptan-4-one Formula: C14H22O2S MolecularWeight: 254.38828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)SC(C(C)C)C(=O)CC(C)C

Isomeric SMILES

CC1=C(C=CO1)SC(C(C)C)C(=O)CC(C)C

InChI

InChI=1S/C14H22O2S/c1-9(2)8-12(15)14(10(3)4)17-13-6-7-16-11(13)5/h6-7,9-10,14H,8H2,1-5H3