(1R,3S,4S)-7-bromanyl-1,3-dimethyl-8-phenylmethoxy-3,4-dihydro-1H-isochromene-4,5-diol

Systemtic Name: (1R,3S,4S)-7-bromanyl-1,3-dimethyl-8-phenylmethoxy-3,4-dihydro-1H-isochromene-4,5-diol Openeye Name: (1R,3S,4S)-8-benzyloxy-7-bromo-1,3-dimethyl-isochromane-4,5-diol CAS Name: (1R,3S,4S)-7-bromo-1,3-dimethyl-8-phenylmethoxy-3,4-dihydro-1H-2-benzopyran-4,5-diol IUPAC Name: (1R,3S,4S)-7-bromo-1,3-dimethyl-8-phenylmethoxy-3,4-dihydro-1H-isochromene-4,5-diol Traditional Name: (1R,3S,4S)-8-benzoxy-7-bromo-1,3-dimethyl-isochroman-4,5-diol Formula: C18H19BrO4 MolecularWeight: 379.24506

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2=C(C(O1)C)C(=C(C=C2O)Br)OCC3=CC=CC=C3)O

Isomeric SMILES

C[C@H]1[C@H](C2=C([C@H](O1)C)C(=C(C=C2O)Br)OCC3=CC=CC=C3)O

InChI

InChI=1S/C18H19BrO4/c1-10-15-16(17(21)11(2)23-10)14(20)8-13(19)18(15)22-9-12-6-4-3-5-7-12/h3-8,10-11,17,20-21H,9H2,1-2H3/t10-,11+,17-/m1/s1