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

Systemtic Name: 2-[2-(2-chloranyl-4-dodecyl-phenoxy)-5-methyl-phenyl]ethanoic acid Openeye Name: 2-[2-(2-chloro-4-dodecyl-phenoxy)-5-methyl-phenyl]acetic acid CAS Name: 2-[2-(2-chloro-4-dodecylphenoxy)-5-methylphenyl]acetic acid IUPAC Name: 2-[2-(2-chloro-4-dodecylphenoxy)-5-methylphenyl]acetic acid Traditional Name: 2-[2-(2-chloro-4-lauryl-phenoxy)-5-methyl-phenyl]acetic acid Formula: C27H37ClO3 MolecularWeight: 445.03388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC(=C(C=C1)OC2=C(C=C(C=C2)C)CC(=O)O)Cl

Isomeric SMILES

CCCCCCCCCCCCC1=CC(=C(C=C1)OC2=C(C=C(C=C2)C)CC(=O)O)Cl

InChI

InChI=1S/C27H37ClO3/c1-3-4-5-6-7-8-9-10-11-12-13-22-15-17-26(24(28)19-22)31-25-16-14-21(2)18-23(25)20-27(29)30/h14-19H,3-13,20H2,1-2H3,(H,29,30)