3-chloranyl-5-methoxy-4-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]benzoic acid

Systemtic Name: 3-chloranyl-5-methoxy-4-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]benzoic acid Openeye Name: 3-chloro-4-[2-[4-(1,1-dimethylpropyl)phenoxy]ethoxy]-5-methoxy-benzoic acid CAS Name: 3-chloro-5-methoxy-4-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]benzoic acid IUPAC Name: 3-chloro-5-methoxy-4-[2-[4-(2-methylbutan-2-yl)phenoxy]ethoxy]benzoic acid Traditional Name: 4-[2-(4-tert-amylphenoxy)ethoxy]-3-chloro-5-methoxy-benzoic acid Formula: C21H25ClO5 MolecularWeight: 392.8732

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=C(C=C1)OCCOC2=C(C=C(C=C2Cl)C(=O)O)OC

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)OCCOC2=C(C=C(C=C2Cl)C(=O)O)OC

InChI

InChI=1S/C21H25ClO5/c1-5-21(2,3)15-6-8-16(9-7-15)26-10-11-27-19-17(22)12-14(20(23)24)13-18(19)25-4/h6-9,12-13H,5,10-11H2,1-4H3,(H,23,24)