methyl (3S)-7-bromanyl-3-methyl-1-oxidanylidene-4H-isochromene-3-carboxylate

Systemtic Name: methyl (3S)-7-bromanyl-3-methyl-1-oxidanylidene-4H-isochromene-3-carboxylate Openeye Name: methyl (3S)-7-bromo-3-methyl-1-oxo-isochromane-3-carboxylate CAS Name: (3S)-7-bromo-3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid methyl ester IUPAC Name: methyl (3S)-7-bromo-3-methyl-1-oxo-4H-isochromene-3-carboxylate Traditional Name: (3S)-7-bromo-1-keto-3-methyl-isochroman-3-carboxylic acid methyl ester Formula: C12H11BrO4 MolecularWeight: 299.11734

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C=C(C=C2)Br)C(=O)O1)C(=O)OC

Isomeric SMILES

C[C@]1(CC2=C(C=C(C=C2)Br)C(=O)O1)C(=O)OC

InChI

InChI=1S/C12H11BrO4/c1-12(11(15)16-2)6-7-3-4-8(13)5-9(7)10(14)17-12/h3-5H,6H2,1-2H3/t12-/m0/s1