(1R,3S,4S)-7-bromanyl-1,3,4-trimethyl-3,4-dihydro-1H-isochromene-5,8-dione

Systemtic Name: (1R,3S,4S)-7-bromanyl-1,3,4-trimethyl-3,4-dihydro-1H-isochromene-5,8-dione Openeye Name: (1R,3S,4S)-7-bromo-1,3,4-trimethyl-3,4-dihydro-1H-isochromene-5,8-dione CAS Name: (1R,3S,4S)-7-bromo-1,3,4-trimethyl-3,4-dihydro-1H-2-benzopyran-5,8-dione IUPAC Name: (1R,3S,4S)-7-bromo-1,3,4-trimethyl-3,4-dihydro-1H-isochromene-5,8-dione Traditional Name: (1R,3S,4S)-7-bromo-1,3,4-trimethyl-3,4-dihydro-1H-isochromene-5,8-quinone Formula: C12H13BrO3 MolecularWeight: 285.13382

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC(C2=C1C(=O)C=C(C2=O)Br)C)C

Isomeric SMILES

C[C@@H]1[C@@H](O[C@@H](C2=C1C(=O)C=C(C2=O)Br)C)C

InChI

InChI=1S/C12H13BrO3/c1-5-6(2)16-7(3)11-10(5)9(14)4-8(13)12(11)15/h4-7H,1-3H3/t5-,6+,7-/m1/s1