1-[(3R,4S)-3-bromanyl-2,2-dimethyl-4-oxidanyl-3,4-dihydrochromen-6-yl]ethanone

Systemtic Name: 1-[(3R,4S)-3-bromanyl-2,2-dimethyl-4-oxidanyl-3,4-dihydrochromen-6-yl]ethanone Openeye Name: 1-[(3R,4S)-3-bromo-4-hydroxy-2,2-dimethyl-chroman-6-yl]ethanone CAS Name: 1-[(3R,4S)-3-bromo-4-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl]ethanone IUPAC Name: 1-[(3R,4S)-3-bromo-4-hydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]ethanone Traditional Name: 1-[(3R,4S)-3-bromo-4-hydroxy-2,2-dimethyl-chroman-6-yl]ethanone Formula: C13H15BrO3 MolecularWeight: 299.1604

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1)OC(C(C2O)Br)(C)C

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1)OC([C@@H]([C@H]2O)Br)(C)C

InChI

InChI=1S/C13H15BrO3/c1-7(15)8-4-5-10-9(6-8)11(16)12(14)13(2,3)17-10/h4-6,11-12,16H,1-3H3/t11-,12+/m0/s1