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

Systemtic Name: 4-[3-[4-(4,4-dimethyl-3-oxidanylidene-pentan-2-yl)oxy-3-methyl-phenyl]pentan-3-yl]-2-methyl-benzoic acid Openeye Name: 4-[1-ethyl-1-[3-methyl-4-(1,3,3-trimethyl-2-oxo-butoxy)phenyl]propyl]-2-methyl-benzoic acid CAS Name: 4-[3-[4-(4,4-dimethyl-3-oxopentan-2-yl)oxy-3-methylphenyl]pentan-3-yl]-2-methylbenzoic acid IUPAC Name: 4-[3-[4-(4,4-dimethyl-3-oxopentan-2-yl)oxy-3-methylphenyl]pentan-3-yl]-2-methylbenzoic acid Traditional Name: 4-[1-ethyl-1-[4-(2-keto-1,3,3-trimethyl-butoxy)-3-methyl-phenyl]propyl]-2-methyl-benzoic acid Formula: C27H36O4 MolecularWeight: 424.57234

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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)OC(C)C(=O)C(C)(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H36O4/c1-9-27(10-2,20-11-13-22(25(29)30)17(3)15-20)21-12-14-23(18(4)16-21)31-19(5)24(28)26(6,7)8/h11-16,19H,9-10H2,1-8H3,(H,29,30)