methyl 4-[2-[4-bromanyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]ethyl]benzoate

Systemtic Name: methyl 4-[2-[4-bromanyl-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl]ethyl]benzoate Openeye Name: methyl 4-[2-(4-bromo-3,6-dioxo-cyclohexa-1,4-dien-1-yl)ethyl]benzoate CAS Name: 4-[2-(4-bromo-3,6-dioxo-1-cyclohexa-1,4-dienyl)ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(4-bromo-3,6-dioxocyclohexa-1,4-dien-1-yl)ethyl]benzoate Traditional Name: 4-[2-(4-bromo-3,6-diketo-cyclohexa-1,4-dien-1-yl)ethyl]benzoic acid methyl ester Formula: C16H13BrO4 MolecularWeight: 349.17602

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CCC2=CC(=O)C(=CC2=O)Br

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CCC2=CC(=O)C(=CC2=O)Br

InChI

InChI=1S/C16H13BrO4/c1-21-16(20)11-5-2-10(3-6-11)4-7-12-8-15(19)13(17)9-14(12)18/h2-3,5-6,8-9H,4,7H2,1H3