(3E)-7-(7-bromanylheptoxy)-3-[(3,4,5-trimethoxyphenyl)methylidene]chromen-4-one

Systemtic Name: (3E)-7-(7-bromanylheptoxy)-3-[(3,4,5-trimethoxyphenyl)methylidene]chromen-4-one Openeye Name: (3E)-7-(7-bromoheptoxy)-3-[(3,4,5-trimethoxyphenyl)methylene]chroman-4-one CAS Name: (3E)-7-(7-bromoheptoxy)-3-[(3,4,5-trimethoxyphenyl)methylidene]-3,4-dihydro-2H-1-benzopyran-4-one IUPAC Name: (3E)-7-(7-bromoheptoxy)-3-[(3,4,5-trimethoxyphenyl)methylidene]chromen-4-one Traditional Name: (3E)-7-(7-bromoheptoxy)-3-(3,4,5-trimethoxybenzylidene)chroman-4-one Formula: C26H31BrO6 MolecularWeight: 519.42474

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C=C2COC3=C(C2=O)C=CC(=C3)OCCCCCCCBr

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)/C=C/2\COC3=C(C2=O)C=CC(=C3)OCCCCCCCBr

InChI

InChI=1S/C26H31BrO6/c1-29-23-14-18(15-24(30-2)26(23)31-3)13-19-17-33-22-16-20(9-10-21(22)25(19)28)32-12-8-6-4-5-7-11-27/h9-10,13-16H,4-8,11-12,17H2,1-3H3/b19-13+