2-[2-(2-chloranyl-4-hexyl-phenoxy)-5-methyl-phenyl]ethanoic acid

Systemtic Name: 2-[2-(2-chloranyl-4-hexyl-phenoxy)-5-methyl-phenyl]ethanoic acid Openeye Name: 2-[2-(2-chloro-4-hexyl-phenoxy)-5-methyl-phenyl]acetic acid CAS Name: 2-[2-(2-chloro-4-hexylphenoxy)-5-methylphenyl]acetic acid IUPAC Name: 2-[2-(2-chloro-4-hexylphenoxy)-5-methylphenyl]acetic acid Traditional Name: 2-[2-(2-chloro-4-hexyl-phenoxy)-5-methyl-phenyl]acetic acid Formula: C21H25ClO3 MolecularWeight: 360.8744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=C(C=C1)OC2=C(C=C(C=C2)C)CC(=O)O)Cl

Isomeric SMILES

CCCCCCC1=CC(=C(C=C1)OC2=C(C=C(C=C2)C)CC(=O)O)Cl

InChI

InChI=1S/C21H25ClO3/c1-3-4-5-6-7-16-9-11-20(18(22)13-16)25-19-10-8-15(2)12-17(19)14-21(23)24/h8-13H,3-7,14H2,1-2H3,(H,23,24)