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

Systemtic Name: 2-[2-chloranyl-4-(2-methylbutan-2-yl)phenoxy]decanoic acid Openeye Name: 2-[2-chloro-4-(1,1-dimethylpropyl)phenoxy]decanoic acid CAS Name: 2-[2-chloro-4-(2-methylbutan-2-yl)phenoxy]decanoic acid IUPAC Name: 2-[2-chloro-4-(2-methylbutan-2-yl)phenoxy]decanoic acid Traditional Name: 2-(4-tert-amyl-2-chloro-phenoxy)capric acid Formula: C21H33ClO3 MolecularWeight: 368.93792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33ClO3/c1-5-7-8-9-10-11-12-19(20(23)24)25-18-14-13-16(15-17(18)22)21(3,4)6-2/h13-15,19H,5-12H2,1-4H3,(H,23,24)