sodium (3R)-6-(2-cycloheptyl-4,6-dimethyl-phenoxy)-3,5-bis(oxidanyl)hexanoate

Systemtic Name: sodium (3R)-6-(2-cycloheptyl-4,6-dimethyl-phenoxy)-3,5-bis(oxidanyl)hexanoate Openeye Name: sodium (3R)-6-(2-cycloheptyl-4,6-dimethyl-phenoxy)-3,5-dihydroxy-hexanoate CAS Name: sodium (3R)-6-(2-cycloheptyl-4,6-dimethylphenoxy)-3,5-dihydroxyhexanoate IUPAC Name: sodium (3R)-6-(2-cycloheptyl-4,6-dimethylphenoxy)-3,5-dihydroxyhexanoate Traditional Name: sodium (3R)-6-(2-cycloheptyl-4,6-dimethyl-phenoxy)-3,5-dihydroxy-hexanoate Formula: C21H31NaO5 MolecularWeight: 386.45761

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C2CCCCCC2)OCC(CC(CC(=O)[O-])O)O)C.[Na+]

Isomeric SMILES

CC1=CC(=C(C(=C1)C2CCCCCC2)OCC(C[C@H](CC(=O)[O-])O)O)C.[Na+]

InChI

InChI=1S/C21H32O5.Na/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);/q;+1/p-1/t17-,18?;/m1./s1