4-[3-[3-chloranyl-4-(3,3-dimethyl-2-oxidanyl-butoxy)phenyl]pentan-3-yl]-2-methyl-benzoic acid

Systemtic Name: 4-[3-[3-chloranyl-4-(3,3-dimethyl-2-oxidanyl-butoxy)phenyl]pentan-3-yl]-2-methyl-benzoic acid Openeye Name: 4-[1-[3-chloro-4-(2-hydroxy-3,3-dimethyl-butoxy)phenyl]-1-ethyl-propyl]-2-methyl-benzoic acid CAS Name: 4-[3-[3-chloro-4-(2-hydroxy-3,3-dimethylbutoxy)phenyl]pentan-3-yl]-2-methylbenzoic acid IUPAC Name: 4-[3-[3-chloro-4-(2-hydroxy-3,3-dimethylbutoxy)phenyl]pentan-3-yl]-2-methylbenzoic acid Traditional Name: 4-[1-[3-chloro-4-(2-hydroxy-3,3-dimethyl-butoxy)phenyl]-1-ethyl-propyl]-2-methyl-benzoic acid Formula: C25H33ClO4 MolecularWeight: 432.98012

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC(=C(C=C1)C(=O)O)C)C2=CC(=C(C=C2)OCC(C(C)(C)C)O)Cl

Isomeric SMILES

CCC(CC)(C1=CC(=C(C=C1)C(=O)O)C)C2=CC(=C(C=C2)OCC(C(C)(C)C)O)Cl

InChI

InChI=1S/C25H33ClO4/c1-7-25(8-2,17-9-11-19(23(28)29)16(3)13-17)18-10-12-21(20(26)14-18)30-15-22(27)24(4,5)6/h9-14,22,27H,7-8,15H2,1-6H3,(H,28,29)