(2E)-5-(7-bromanylheptoxy)-2-[(3,4,5-trimethoxyphenyl)methylidene]-3H-inden-1-one

Systemtic Name: (2E)-5-(7-bromanylheptoxy)-2-[(3,4,5-trimethoxyphenyl)methylidene]-3H-inden-1-one Openeye Name: (2E)-5-(7-bromoheptoxy)-2-[(3,4,5-trimethoxyphenyl)methylene]indan-1-one CAS Name: (2E)-5-(7-bromoheptoxy)-2-[(3,4,5-trimethoxyphenyl)methylidene]-3H-inden-1-one IUPAC Name: (2E)-5-(7-bromoheptoxy)-2-[(3,4,5-trimethoxyphenyl)methylidene]-3H-inden-1-one Traditional Name: (2E)-5-(7-bromoheptoxy)-2-(3,4,5-trimethoxybenzylidene)indan-1-one Formula: C26H31BrO5 MolecularWeight: 503.42534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C=C2CC3=C(C2=O)C=CC(=C3)OCCCCCCCBr

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)/C=C/2\CC3=C(C2=O)C=CC(=C3)OCCCCCCCBr

InChI

InChI=1S/C26H31BrO5/c1-29-23-14-18(15-24(30-2)26(23)31-3)13-20-16-19-17-21(9-10-22(19)25(20)28)32-12-8-6-4-5-7-11-27/h9-10,13-15,17H,4-8,11-12,16H2,1-3H3/b20-13+