2-[2-chloranyl-4-(2-methylpentan-2-yl)phenoxy]decanoic acid

Systemtic Name: 2-[2-chloranyl-4-(2-methylpentan-2-yl)phenoxy]decanoic acid Openeye Name: 2-[2-chloro-4-(1,1-dimethylbutyl)phenoxy]decanoic acid CAS Name: 2-[2-chloro-4-(2-methylpentan-2-yl)phenoxy]decanoic acid IUPAC Name: 2-[2-chloro-4-(2-methylpentan-2-yl)phenoxy]decanoic acid Traditional Name: 2-[2-chloro-4-(1,1-dimethylbutyl)phenoxy]capric acid Formula: C22H35ClO3 MolecularWeight: 382.9645

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(=O)O)OC1=C(C=C(C=C1)C(C)(C)CCC)Cl

Isomeric SMILES

CCCCCCCCC(C(=O)O)OC1=C(C=C(C=C1)C(C)(C)CCC)Cl

InChI

InChI=1S/C22H35ClO3/c1-5-7-8-9-10-11-12-20(21(24)25)26-19-14-13-17(16-18(19)23)22(3,4)15-6-2/h13-14,16,20H,5-12,15H2,1-4H3,(H,24,25)