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

Systemtic Name: 2-[2-(2-chloranyl-4-nonyl-phenoxy)-5-methyl-phenyl]ethanoic acid Openeye Name: 2-[2-(2-chloro-4-nonyl-phenoxy)-5-methyl-phenyl]acetic acid CAS Name: 2-[2-(2-chloro-4-nonylphenoxy)-5-methylphenyl]acetic acid IUPAC Name: 2-[2-(2-chloro-4-nonylphenoxy)-5-methylphenyl]acetic acid Traditional Name: 2-[2-(2-chloro-4-nonyl-phenoxy)-5-methyl-phenyl]acetic acid Formula: C24H31ClO3 MolecularWeight: 402.95414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC(=C(C=C1)OC2=C(C=C(C=C2)C)CC(=O)O)Cl

Isomeric SMILES

CCCCCCCCCC1=CC(=C(C=C1)OC2=C(C=C(C=C2)C)CC(=O)O)Cl

InChI

InChI=1S/C24H31ClO3/c1-3-4-5-6-7-8-9-10-19-12-14-23(21(25)16-19)28-22-13-11-18(2)15-20(22)17-24(26)27/h11-16H,3-10,17H2,1-2H3,(H,26,27)