3-[4-[3-(4-chloranyl-2-cyclohexyl-phenoxy)-5-methyl-phenoxy]-2-methyl-phenyl]propanoic acid

Systemtic Name: 3-[4-[3-(4-chloranyl-2-cyclohexyl-phenoxy)-5-methyl-phenoxy]-2-methyl-phenyl]propanoic acid Openeye Name: 3-[4-[3-(4-chloro-2-cyclohexyl-phenoxy)-5-methyl-phenoxy]-2-methyl-phenyl]propanoic acid CAS Name: 3-[4-[3-(4-chloro-2-cyclohexylphenoxy)-5-methylphenoxy]-2-methylphenyl]propanoic acid IUPAC Name: 3-[4-[3-(4-chloro-2-cyclohexylphenoxy)-5-methylphenoxy]-2-methylphenyl]propanoic acid Traditional Name: 3-[4-[3-(4-chloro-2-cyclohexyl-phenoxy)-5-methyl-phenoxy]-2-methyl-phenyl]propionic acid Formula: C29H31ClO4 MolecularWeight: 479.00704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=C(C=C(C=C2)Cl)C3CCCCC3)OC4=CC(=C(C=C4)CCC(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=C(C=C(C=C2)Cl)C3CCCCC3)OC4=CC(=C(C=C4)CCC(=O)O)C

InChI

InChI=1S/C29H31ClO4/c1-19-14-25(33-24-11-8-21(20(2)16-24)9-13-29(31)32)18-26(15-19)34-28-12-10-23(30)17-27(28)22-6-4-3-5-7-22/h8,10-12,14-18,22H,3-7,9,13H2,1-2H3,(H,31,32)