ethyl 3-[3-[2-(8-bromanyloctylperoxycarbonyl)-3-oxidanylidene-prop-2-enyl]phenyl]benzoate

Systemtic Name: ethyl 3-[3-[2-(8-bromanyloctylperoxycarbonyl)-3-oxidanylidene-prop-2-enyl]phenyl]benzoate Openeye Name: ethyl 3-[3-[2-(8-bromooctylperoxycarbonyl)-3-oxo-allyl]phenyl]benzoate CAS Name: 3-[3-[2-[8-bromooctyldioxy(oxo)methyl]-3-oxoprop-2-enyl]phenyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[3-[2-(8-bromooctylperoxycarbonyl)-3-oxoprop-2-enyl]phenyl]benzoate Traditional Name: 3-[3-[2-(8-bromooctylperoxycarbonyl)-3-keto-allyl]phenyl]benzoic acid ethyl ester Formula: C27H31BrO6 MolecularWeight: 531.43544

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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)OOCCCCCCCCBr

Isomeric SMILES

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

InChI

InChI=1S/C27H31BrO6/c1-2-32-26(30)24-14-10-13-23(19-24)22-12-9-11-21(17-22)18-25(20-29)27(31)34-33-16-8-6-4-3-5-7-15-28/h9-14,17,19H,2-8,15-16,18H2,1H3