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

Systemtic Name: benzene; (E)-7-chloranyl-1-(2,4,5-trimethoxyphenyl)hept-1-en-3-one Openeye Name: benzene; (E)-7-chloro-1-(2,4,5-trimethoxyphenyl)hept-1-en-3-one CAS Name: benzene; (E)-7-chloro-1-(2,4,5-trimethoxyphenyl)-1-hepten-3-one IUPAC Name: benzene; (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; benzene Formula: C22H27ClO4 MolecularWeight: 390.90038

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C=CC(=O)CCCCCl)OC)OC.C1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C16H21ClO4.C6H6/c1-19-14-11-16(21-3)15(20-2)10-12(14)7-8-13(18)6-4-5-9-17;1-2-4-6-5-3-1/h7-8,10-11H,4-6,9H2,1-3H3;1-6H/b8-7+;