sodium (3R)-6-[2-(cyclohexylmethyl)-4-phenyl-6-propan-2-yl-phenoxy]-3,5-bis(oxidanyl)hexanoate

Systemtic Name: sodium (3R)-6-[2-(cyclohexylmethyl)-4-phenyl-6-propan-2-yl-phenoxy]-3,5-bis(oxidanyl)hexanoate Openeye Name: sodium (3R)-6-[2-(cyclohexylmethyl)-6-isopropyl-4-phenyl-phenoxy]-3,5-dihydroxy-hexanoate CAS Name: sodium (3R)-6-[2-(cyclohexylmethyl)-4-phenyl-6-propan-2-ylphenoxy]-3,5-dihydroxyhexanoate IUPAC Name: sodium (3R)-6-[2-(cyclohexylmethyl)-4-phenyl-6-propan-2-ylphenoxy]-3,5-dihydroxyhexanoate Traditional Name: sodium (3R)-6-[2-(cyclohexylmethyl)-6-isopropyl-4-phenyl-phenoxy]-3,5-dihydroxy-hexanoate Formula: C28H37NaO5 MolecularWeight: 476.58015

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=CC(=C1OCC(CC(CC(=O)[O-])O)O)CC2CCCCC2)C3=CC=CC=C3.[Na+]

Isomeric SMILES

CC(C)C1=CC(=CC(=C1OCC(C[C@H](CC(=O)[O-])O)O)CC2CCCCC2)C3=CC=CC=C3.[Na+]

InChI

InChI=1S/C28H38O5.Na/c1-19(2)26-15-22(21-11-7-4-8-12-21)14-23(13-20-9-5-3-6-10-20)28(26)33-18-25(30)16-24(29)17-27(31)32;/h4,7-8,11-12,14-15,19-20,24-25,29-30H,3,5-6,9-10,13,16-18H2,1-2H3,(H,31,32);/q;+1/p-1/t24-,25?;/m1./s1