ethyl 3-[3-[2-(6-bromanylhexylperoxycarbonyl)-3-oxidanylidene-prop-2-enyl]phenyl]benzoate

Systemtic Name: ethyl 3-[3-[2-(6-bromanylhexylperoxycarbonyl)-3-oxidanylidene-prop-2-enyl]phenyl]benzoate Openeye Name: ethyl 3-[3-[2-(6-bromohexylperoxycarbonyl)-3-oxo-allyl]phenyl]benzoate CAS Name: 3-[3-[2-[6-bromohexyldioxy(oxo)methyl]-3-oxoprop-2-enyl]phenyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[3-[2-(6-bromohexylperoxycarbonyl)-3-oxoprop-2-enyl]phenyl]benzoate Traditional Name: 3-[3-[2-(6-bromohexylperoxycarbonyl)-3-keto-allyl]phenyl]benzoic acid ethyl ester Formula: C25H27BrO6 MolecularWeight: 503.38228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27BrO6/c1-2-30-24(28)22-12-8-11-21(17-22)20-10-7-9-19(15-20)16-23(18-27)25(29)32-31-14-6-4-3-5-13-26/h7-12,15,17H,2-6,13-14,16H2,1H3