(1S,3S)-5-bromanyl-8-methoxy-1,3-dimethyl-1H-isochromen-4-one

Systemtic Name: (1S,3S)-5-bromanyl-8-methoxy-1,3-dimethyl-1H-isochromen-4-one Openeye Name: (1S,3S)-5-bromo-8-methoxy-1,3-dimethyl-isochroman-4-one CAS Name: (1S,3S)-5-bromo-8-methoxy-1,3-dimethyl-3,4-dihydro-1H-2-benzopyran-4-one IUPAC Name: (1S,3S)-5-bromo-8-methoxy-1,3-dimethyl-1H-isochromen-4-one Traditional Name: (1S,3S)-5-bromo-8-methoxy-1,3-dimethyl-isochroman-4-one Formula: C12H13BrO3 MolecularWeight: 285.13382

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(C=CC(=C2C(=O)C(O1)C)Br)OC

Isomeric SMILES

C[C@H]1C2=C(C=CC(=C2C(=O)[C@@H](O1)C)Br)OC

InChI

InChI=1S/C12H13BrO3/c1-6-10-9(15-3)5-4-8(13)11(10)12(14)7(2)16-6/h4-7H,1-3H3/t6-,7-/m0/s1