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

Systemtic Name: (1S,3R)-1-(bromomethyl)-6-cyclohexylidene-3-(phenylmethoxymethyl)-4,5-dihydro-3H-isochromene-1,5-diol Openeye Name: (1S,3R)-3-(benzyloxymethyl)-1-(bromomethyl)-6-cyclohexylidene-4,5-dihydro-3H-isochromene-1,5-diol CAS Name: (1S,3R)-1-(bromomethyl)-6-cyclohexylidene-3-(phenylmethoxymethyl)-4,5-dihydro-3H-2-benzopyran-1,5-diol IUPAC Name: (1S,3R)-1-(bromomethyl)-6-cyclohexylidene-3-(phenylmethoxymethyl)-4,5-dihydro-3H-isochromene-1,5-diol Traditional Name: (1S,3R)-3-(benzoxymethyl)-1-(bromomethyl)-6-cyclohexylidene-4,5-dihydro-3H-isochromene-1,5-diol Formula: C24H29BrO4 MolecularWeight: 461.38866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=C2C=CC3=C(C2O)CC(OC3(CBr)O)COCC4=CC=CC=C4)CC1

Isomeric SMILES

C1CCC(=C2C=CC3=C(C2O)C[C@@H](O[C@@]3(CBr)O)COCC4=CC=CC=C4)CC1

InChI

InChI=1S/C24H29BrO4/c25-16-24(27)22-12-11-20(18-9-5-2-6-10-18)23(26)21(22)13-19(29-24)15-28-14-17-7-3-1-4-8-17/h1,3-4,7-8,11-12,19,23,26-27H,2,5-6,9-10,13-16H2/t19-,23?,24-/m1/s1