(2-methyl-4-oxidanylidene-2,3-dihydrochromen-5-yl) 4-bromanylbenzoate

Systemtic Name: (2-methyl-4-oxidanylidene-2,3-dihydrochromen-5-yl) 4-bromanylbenzoate Openeye Name: (2-methyl-4-oxo-chroman-5-yl) 4-bromobenzoate CAS Name: 4-bromobenzoic acid (2-methyl-4-oxo-3,4-dihydro-2H-1-benzopyran-5-yl) ester IUPAC Name: (2-methyl-4-oxo-2,3-dihydrochromen-5-yl) 4-bromobenzoate Traditional Name: 4-bromobenzoic acid (4-keto-2-methyl-chroman-5-yl) ester Formula: C17H13BrO4 MolecularWeight: 361.18672

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)C2=C(O1)C=CC=C2OC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1CC(=O)C2=C(O1)C=CC=C2OC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H13BrO4/c1-10-9-13(19)16-14(21-10)3-2-4-15(16)22-17(20)11-5-7-12(18)8-6-11/h2-8,10H,9H2,1H3