(2S,3aS,7aS)-4-bromanyl-2-(4-methoxyphenyl)-3a,7a-dihydro-1,3-benzodioxole

Systemtic Name: (2S,3aS,7aS)-4-bromanyl-2-(4-methoxyphenyl)-3a,7a-dihydro-1,3-benzodioxole Openeye Name: (2S,3aS,7aS)-4-bromo-2-(4-methoxyphenyl)-3a,7a-dihydro-1,3-benzodioxole CAS Name: (2S,3aS,7aS)-4-bromo-2-(4-methoxyphenyl)-3a,7a-dihydro-1,3-benzodioxole IUPAC Name: (2S,3aS,7aS)-4-bromo-2-(4-methoxyphenyl)-3a,7a-dihydro-1,3-benzodioxole Traditional Name: (2S,3aS,7aS)-4-bromo-2-(4-methoxyphenyl)-3a,7a-dihydro-1,3-benzodioxole Formula: C14H13BrO3 MolecularWeight: 309.15522

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2OC3C=CC=C(C3O2)Br

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2O[C@H]3C=CC=C([C@H]3O2)Br

InChI

InChI=1S/C14H13BrO3/c1-16-10-7-5-9(6-8-10)14-17-12-4-2-3-11(15)13(12)18-14/h2-8,12-14H,1H3/t12-,13+,14-/m0/s1