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

Systemtic Name: 4-[3-[4-(4,4-dimethyl-3-oxidanylidene-pentyl)-3-methyl-phenyl]pentan-3-yl]-2-methyl-benzoic acid Openeye Name: 4-[1-[4-(4,4-dimethyl-3-oxo-pentyl)-3-methyl-phenyl]-1-ethyl-propyl]-2-methyl-benzoic acid CAS Name: 4-[3-[4-(4,4-dimethyl-3-oxopentyl)-3-methylphenyl]pentan-3-yl]-2-methylbenzoic acid IUPAC Name: 4-[3-[4-(4,4-dimethyl-3-oxopentyl)-3-methylphenyl]pentan-3-yl]-2-methylbenzoic acid Traditional Name: 4-[1-ethyl-1-[4-(3-keto-4,4-dimethyl-pentyl)-3-methyl-phenyl]propyl]-2-methyl-benzoic acid Formula: C27H36O3 MolecularWeight: 408.57294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36O3/c1-8-27(9-2,22-13-14-23(25(29)30)19(4)17-22)21-12-10-20(18(3)16-21)11-15-24(28)26(5,6)7/h10,12-14,16-17H,8-9,11,15H2,1-7H3,(H,29,30)