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

Systemtic Name: 4-[3-[4-(3,3-dimethyl-2-oxidanyl-butoxy)-3-methyl-phenyl]pentan-3-yl]benzoic acid Openeye Name: 4-[1-ethyl-1-[4-(2-hydroxy-3,3-dimethyl-butoxy)-3-methyl-phenyl]propyl]benzoic acid CAS Name: 4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]benzoic acid IUPAC Name: 4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]pentan-3-yl]benzoic acid Traditional Name: 4-[1-ethyl-1-[4-(2-hydroxy-3,3-dimethyl-butoxy)-3-methyl-phenyl]propyl]benzoic acid Formula: C25H34O4 MolecularWeight: 398.53506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34O4/c1-7-25(8-2,19-11-9-18(10-12-19)23(27)28)20-13-14-21(17(3)15-20)29-16-22(26)24(4,5)6/h9-15,22,26H,7-8,16H2,1-6H3,(H,27,28)