1-[(3R,4S)-3-bromanyl-7-methoxy-2,2-dimethyl-4-oxidanyl-3,4-dihydrochromen-6-yl]ethanone

Systemtic Name: 1-[(3R,4S)-3-bromanyl-7-methoxy-2,2-dimethyl-4-oxidanyl-3,4-dihydrochromen-6-yl]ethanone Openeye Name: 1-[(3R,4S)-3-bromo-4-hydroxy-7-methoxy-2,2-dimethyl-chroman-6-yl]ethanone CAS Name: 1-[(3R,4S)-3-bromo-4-hydroxy-7-methoxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-6-yl]ethanone IUPAC Name: 1-[(3R,4S)-3-bromo-4-hydroxy-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl]ethanone Traditional Name: 1-[(3R,4S)-3-bromo-4-hydroxy-7-methoxy-2,2-dimethyl-chroman-6-yl]ethanone Formula: C14H17BrO4 MolecularWeight: 329.18638

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1OC)OC(C(C2O)Br)(C)C

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1OC)OC([C@@H]([C@H]2O)Br)(C)C

InChI

InChI=1S/C14H17BrO4/c1-7(16)8-5-9-11(6-10(8)18-4)19-14(2,3)13(15)12(9)17/h5-6,12-13,17H,1-4H3/t12-,13+/m0/s1