2-[4-[3-(4-hexylphenyl)-3-oxidanylidene-propyl]-2-methyl-phenoxy]-2-methyl-propanoic acid

Systemtic Name: 2-[4-[3-(4-hexylphenyl)-3-oxidanylidene-propyl]-2-methyl-phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-[3-(4-hexylphenyl)-3-oxo-propyl]-2-methyl-phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[3-(4-hexylphenyl)-3-oxopropyl]-2-methylphenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[3-(4-hexylphenyl)-3-oxopropyl]-2-methylphenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-[3-(4-hexylphenyl)-3-keto-propyl]-2-methyl-phenoxy]-2-methyl-propionic acid Formula: C26H34O4 MolecularWeight: 410.54576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)CCC2=CC(=C(C=C2)OC(C)(C)C(=O)O)C

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)CCC2=CC(=C(C=C2)OC(C)(C)C(=O)O)C

InChI

InChI=1S/C26H34O4/c1-5-6-7-8-9-20-10-14-22(15-11-20)23(27)16-12-21-13-17-24(19(2)18-21)30-26(3,4)25(28)29/h10-11,13-15,17-18H,5-9,12,16H2,1-4H3,(H,28,29)