3-[(E)-but-2-enyl]sulfanyl-2,6-dimethyl-heptan-4-one

Systemtic Name: 3-[(E)-but-2-enyl]sulfanyl-2,6-dimethyl-heptan-4-one Openeye Name: 3-[(E)-but-2-enyl]sulfanyl-2,6-dimethyl-heptan-4-one CAS Name: 3-[[(E)-but-2-enyl]thio]-2,6-dimethyl-4-heptanone IUPAC Name: 3-[(E)-but-2-enyl]sulfanyl-2,6-dimethylheptan-4-one Traditional Name: 3-[[(E)-but-2-enyl]thio]-2,6-dimethyl-heptan-4-one Formula: C13H24OS MolecularWeight: 228.39406

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCSC(C(C)C)C(=O)CC(C)C

Isomeric SMILES

C/C=C/CSC(C(C)C)C(=O)CC(C)C

InChI

InChI=1S/C13H24OS/c1-6-7-8-15-13(11(4)5)12(14)9-10(2)3/h6-7,10-11,13H,8-9H2,1-5H3/b7-6+