ethyl 4-[3-[2-(5-bromanylpentylperoxycarbonyl)-3-oxidanylidene-prop-2-enyl]phenyl]benzoate

Systemtic Name: ethyl 4-[3-[2-(5-bromanylpentylperoxycarbonyl)-3-oxidanylidene-prop-2-enyl]phenyl]benzoate Openeye Name: ethyl 4-[3-[2-(5-bromopentylperoxycarbonyl)-3-oxo-allyl]phenyl]benzoate CAS Name: 4-[3-[2-[5-bromopentyldioxy(oxo)methyl]-3-oxoprop-2-enyl]phenyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-[2-(5-bromopentylperoxycarbonyl)-3-oxoprop-2-enyl]phenyl]benzoate Traditional Name: 4-[3-[2-(5-bromopentylperoxycarbonyl)-3-keto-allyl]phenyl]benzoic acid ethyl ester Formula: C24H25BrO6 MolecularWeight: 489.3557

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25BrO6/c1-2-29-23(27)20-11-9-19(10-12-20)21-8-6-7-18(15-21)16-22(17-26)24(28)31-30-14-5-3-4-13-25/h6-12,15H,2-5,13-14,16H2,1H3