[3-(3-methylbut-2-enyl)-1,4-bis(oxidanylidene)naphthalen-2-yl] 4-bromanylbenzoate

Systemtic Name: [3-(3-methylbut-2-enyl)-1,4-bis(oxidanylidene)naphthalen-2-yl] 4-bromanylbenzoate Openeye Name: [3-(3-methylbut-2-enyl)-1,4-dioxo-2-naphthyl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [3-(3-methylbut-2-enyl)-1,4-dioxo-2-naphthalenyl] ester IUPAC Name: [3-(3-methylbut-2-enyl)-1,4-dioxonaphthalen-2-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [1,4-diketo-3-(3-methylbut-2-enyl)-2-naphthyl] ester Formula: C22H17BrO4 MolecularWeight: 425.27198

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC1=C(C(=O)C2=CC=CC=C2C1=O)OC(=O)C3=CC=C(C=C3)Br)C

Isomeric SMILES

CC(=CCC1=C(C(=O)C2=CC=CC=C2C1=O)OC(=O)C3=CC=C(C=C3)Br)C

InChI

InChI=1S/C22H17BrO4/c1-13(2)7-12-18-19(24)16-5-3-4-6-17(16)20(25)21(18)27-22(26)14-8-10-15(23)11-9-14/h3-11H,12H2,1-2H3