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

Systemtic Name: 4-[3-[4-(3,3-dimethyl-2-oxidanyl-butoxy)-3-methyl-phenyl]pentan-3-yl]-2-methyl-benzoic acid Openeye Name: 4-[1-ethyl-1-[4-(2-hydroxy-3,3-dimethyl-butoxy)-3-methyl-phenyl]propyl]-2-methyl-benzoic acid CAS Name: 4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-2-methylbenzoic acid IUPAC Name: 4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]-2-methylbenzoic acid Traditional Name: 4-[1-ethyl-1-[4-(2-hydroxy-3,3-dimethyl-butoxy)-3-methyl-phenyl]propyl]-2-methyl-benzoic acid Formula: C26H36O4 MolecularWeight: 412.56164

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C26H36O4/c1-8-26(9-2,19-10-12-21(24(28)29)17(3)14-19)20-11-13-22(18(4)15-20)30-16-23(27)25(5,6)7/h10-15,23,27H,8-9,16H2,1-7H3,(H,28,29)