(3E)-3-(1-chloranylethylidene)heptan-2-one

Systemtic Name: (3E)-3-(1-chloranylethylidene)heptan-2-one Openeye Name: (3E)-3-(1-chloroethylidene)heptan-2-one CAS Name: (3E)-3-(1-chloroethylidene)-2-heptanone IUPAC Name: (3E)-3-(1-chloroethylidene)heptan-2-one Traditional Name: (E)-3-butyl-4-chloro-pent-3-en-2-one Formula: C9H15ClO MolecularWeight: 174.6678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=C(C)Cl)C(=O)C

Isomeric SMILES

CCCC/C(=C(/C)\Cl)/C(=O)C

InChI

InChI=1S/C9H15ClO/c1-4-5-6-9(7(2)10)8(3)11/h4-6H2,1-3H3/b9-7+