ethyl 3-[3-[2-(7-bromanylheptylperoxycarbonyl)-3-oxidanylidene-prop-2-enyl]phenyl]benzoate

Systemtic Name: ethyl 3-[3-[2-(7-bromanylheptylperoxycarbonyl)-3-oxidanylidene-prop-2-enyl]phenyl]benzoate Openeye Name: ethyl 3-[3-[2-(7-bromoheptylperoxycarbonyl)-3-oxo-allyl]phenyl]benzoate CAS Name: 3-[3-[2-[7-bromoheptyldioxy(oxo)methyl]-3-oxoprop-2-enyl]phenyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[3-[2-(7-bromoheptylperoxycarbonyl)-3-oxoprop-2-enyl]phenyl]benzoate Traditional Name: 3-[3-[2-(7-bromoheptylperoxycarbonyl)-3-keto-allyl]phenyl]benzoic acid ethyl ester Formula: C26H29BrO6 MolecularWeight: 517.40886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC(=C1)C2=CC(=CC=C2)CC(=C=O)C(=O)OOCCCCCCCBr

Isomeric SMILES

CCOC(=O)C1=CC=CC(=C1)C2=CC(=CC=C2)CC(=C=O)C(=O)OOCCCCCCCBr

InChI

InChI=1S/C26H29BrO6/c1-2-31-25(29)23-13-9-12-22(18-23)21-11-8-10-20(16-21)17-24(19-28)26(30)33-32-15-7-5-3-4-6-14-27/h8-13,16,18H,2-7,14-15,17H2,1H3