(E)-7-chloranyl-1-(2,4,5-trimethoxyphenyl)hept-1-en-3-one

Systemtic Name: (E)-7-chloranyl-1-(2,4,5-trimethoxyphenyl)hept-1-en-3-one Openeye Name: (E)-7-chloro-1-(2,4,5-trimethoxyphenyl)hept-1-en-3-one CAS Name: (E)-7-chloro-1-(2,4,5-trimethoxyphenyl)-1-hepten-3-one IUPAC Name: (E)-7-chloro-1-(2,4,5-trimethoxyphenyl)hept-1-en-3-one Traditional Name: (E)-1-asaryl-7-chloro-hept-1-en-3-one Formula: C16H21ClO4 MolecularWeight: 312.78854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C=CC(=O)CCCCCl)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1/C=C/C(=O)CCCCCl)OC)OC

InChI

InChI=1S/C16H21ClO4/c1-19-14-11-16(21-3)15(20-2)10-12(14)7-8-13(18)6-4-5-9-17/h7-8,10-11H,4-6,9H2,1-3H3/b8-7+