(2S)-4-[4-(4-hexylphenyl)phenoxy]-2-oxidanyl-butanoic acid

Systemtic Name: (2S)-4-[4-(4-hexylphenyl)phenoxy]-2-oxidanyl-butanoic acid Openeye Name: (2S)-4-[4-(4-hexylphenyl)phenoxy]-2-hydroxy-butanoic acid CAS Name: (2S)-4-[4-(4-hexylphenyl)phenoxy]-2-hydroxybutanoic acid IUPAC Name: (2S)-4-[4-(4-hexylphenyl)phenoxy]-2-hydroxybutanoic acid Traditional Name: (2S)-4-[4-(4-hexylphenyl)phenoxy]-2-hydroxy-butyric acid Formula: C22H28O4 MolecularWeight: 356.45532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OCCC(C(=O)O)O

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)OCC[C@@H](C(=O)O)O

InChI

InChI=1S/C22H28O4/c1-2-3-4-5-6-17-7-9-18(10-8-17)19-11-13-20(14-12-19)26-16-15-21(23)22(24)25/h7-14,21,23H,2-6,15-16H2,1H3,(H,24,25)/t21-/m0/s1