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

Systemtic Name: 2-[2-(2-chloranyl-4-undecyl-phenoxy)-5-methyl-phenyl]ethanoic acid Openeye Name: 2-[2-(2-chloro-4-undecyl-phenoxy)-5-methyl-phenyl]acetic acid CAS Name: 2-[2-(2-chloro-4-undecylphenoxy)-5-methylphenyl]acetic acid IUPAC Name: 2-[2-(2-chloro-4-undecylphenoxy)-5-methylphenyl]acetic acid Traditional Name: 2-[2-(2-chloro-4-undecyl-phenoxy)-5-methyl-phenyl]acetic acid Formula: C26H35ClO3 MolecularWeight: 431.0073

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=CC(=C(C=C1)OC2=C(C=C(C=C2)C)CC(=O)O)Cl

Isomeric SMILES

CCCCCCCCCCCC1=CC(=C(C=C1)OC2=C(C=C(C=C2)C)CC(=O)O)Cl

InChI

InChI=1S/C26H35ClO3/c1-3-4-5-6-7-8-9-10-11-12-21-14-16-25(23(27)18-21)30-24-15-13-20(2)17-22(24)19-26(28)29/h13-18H,3-12,19H2,1-2H3,(H,28,29)