2-[4-[(E)-3-(4-heptylphenyl)-3-oxidanylidene-prop-1-enyl]-2,6-dimethyl-phenoxy]-2-methyl-propanoic acid

Systemtic Name: 2-[4-[(E)-3-(4-heptylphenyl)-3-oxidanylidene-prop-1-enyl]-2,6-dimethyl-phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-[(E)-3-(4-heptylphenyl)-3-oxo-prop-1-enyl]-2,6-dimethyl-phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[(E)-3-(4-heptylphenyl)-3-oxoprop-1-enyl]-2,6-dimethylphenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[(E)-3-(4-heptylphenyl)-3-oxoprop-1-enyl]-2,6-dimethylphenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-[(E)-3-(4-heptylphenyl)-3-keto-prop-1-enyl]-2,6-dimethyl-phenoxy]-2-methyl-propionic acid Formula: C28H36O4 MolecularWeight: 436.58304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C(=O)C=CC2=CC(=C(C(=C2)C)OC(C)(C)C(=O)O)C

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C(=O)/C=C/C2=CC(=C(C(=C2)C)OC(C)(C)C(=O)O)C

InChI

InChI=1S/C28H36O4/c1-6-7-8-9-10-11-22-12-15-24(16-13-22)25(29)17-14-23-18-20(2)26(21(3)19-23)32-28(4,5)27(30)31/h12-19H,6-11H2,1-5H3,(H,30,31)/b17-14+