(3R)-6-(2-cycloheptyl-4,6-dimethyl-phenoxy)-3,5-bis(oxidanyl)hexanoic acid

Systemtic Name: (3R)-6-(2-cycloheptyl-4,6-dimethyl-phenoxy)-3,5-bis(oxidanyl)hexanoic acid Openeye Name: (3R)-6-(2-cycloheptyl-4,6-dimethyl-phenoxy)-3,5-dihydroxy-hexanoic acid CAS Name: (3R)-6-(2-cycloheptyl-4,6-dimethylphenoxy)-3,5-dihydroxyhexanoic acid IUPAC Name: (3R)-6-(2-cycloheptyl-4,6-dimethylphenoxy)-3,5-dihydroxyhexanoic acid Traditional Name: (3R)-6-(2-cycloheptyl-4,6-dimethyl-phenoxy)-3,5-dihydroxy-hexanoic acid Formula: C21H32O5 MolecularWeight: 364.47578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C2CCCCCC2)OCC(CC(CC(=O)O)O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C2CCCCCC2)OCC(C[C@H](CC(=O)O)O)O)C

InChI

InChI=1S/C21H32O5/c1-14-9-15(2)21(19(10-14)16-7-5-3-4-6-8-16)26-13-18(23)11-17(22)12-20(24)25/h9-10,16-18,22-23H,3-8,11-13H2,1-2H3,(H,24,25)/t17-,18?/m1/s1