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

Systemtic Name: (1S,3R)-1-(bromomethyl)-3-tert-butyl-6-cyclohexylidene-4,5-dihydro-3H-isochromene-1,5-diol Openeye Name: (1S,3R)-1-(bromomethyl)-3-tert-butyl-6-cyclohexylidene-4,5-dihydro-3H-isochromene-1,5-diol CAS Name: (1S,3R)-1-(bromomethyl)-3-tert-butyl-6-cyclohexylidene-4,5-dihydro-3H-2-benzopyran-1,5-diol IUPAC Name: (1S,3R)-1-(bromomethyl)-3-tert-butyl-6-cyclohexylidene-4,5-dihydro-3H-isochromene-1,5-diol Traditional Name: (1S,3R)-1-(bromomethyl)-3-tert-butyl-6-cyclohexylidene-4,5-dihydro-3H-isochromene-1,5-diol Formula: C20H29BrO3 MolecularWeight: 397.34646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29BrO3/c1-19(2,3)17-11-15-16(20(23,12-21)24-17)10-9-14(18(15)22)13-7-5-4-6-8-13/h9-10,17-18,22-23H,4-8,11-12H2,1-3H3/t17-,18?,20-/m1/s1