(1R,3R)-1-(2-bromoethyl)-3-tert-butyl-6-cyclohexylidene-4,5-dihydro-3H-isochromene-1,5-diol

Systemtic Name: (1R,3R)-1-(2-bromoethyl)-3-tert-butyl-6-cyclohexylidene-4,5-dihydro-3H-isochromene-1,5-diol Openeye Name: (1R,3R)-1-(2-bromoethyl)-3-tert-butyl-6-cyclohexylidene-4,5-dihydro-3H-isochromene-1,5-diol CAS Name: (1R,3R)-1-(2-bromoethyl)-3-tert-butyl-6-cyclohexylidene-4,5-dihydro-3H-2-benzopyran-1,5-diol IUPAC Name: (1R,3R)-1-(2-bromoethyl)-3-tert-butyl-6-cyclohexylidene-4,5-dihydro-3H-isochromene-1,5-diol Traditional Name: (1R,3R)-1-(2-bromoethyl)-3-tert-butyl-6-cyclohexylidene-4,5-dihydro-3H-isochromene-1,5-diol Formula: C21H31BrO3 MolecularWeight: 411.37304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CC2=C(C=CC(=C3CCCCC3)C2O)C(O1)(CCBr)O

Isomeric SMILES

CC(C)(C)[C@H]1CC2=C(C=CC(=C3CCCCC3)C2O)[C@](O1)(CCBr)O

InChI

InChI=1S/C21H31BrO3/c1-20(2,3)18-13-16-17(21(24,25-18)11-12-22)10-9-15(19(16)23)14-7-5-4-6-8-14/h9-10,18-19,23-24H,4-8,11-13H2,1-3H3/t18-,19?,21-/m1/s1