2-[2-(4-heptoxy-3-methoxy-phenyl)ethyl]-2-methyl-propanedioic acid

Systemtic Name: 2-[2-(4-heptoxy-3-methoxy-phenyl)ethyl]-2-methyl-propanedioic acid Openeye Name: 2-[2-(4-heptoxy-3-methoxy-phenyl)ethyl]-2-methyl-propanedioic acid CAS Name: 2-[2-(4-heptoxy-3-methoxyphenyl)ethyl]-2-methylpropanedioic acid IUPAC Name: 2-[2-(4-heptoxy-3-methoxyphenyl)ethyl]-2-methylpropanedioic acid Traditional Name: 2-[2-(4-heptoxy-3-methoxy-phenyl)ethyl]-2-methyl-malonic acid Formula: C20H30O6 MolecularWeight: 366.4486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=C(C=C1)CCC(C)(C(=O)O)C(=O)O)OC

Isomeric SMILES

CCCCCCCOC1=C(C=C(C=C1)CCC(C)(C(=O)O)C(=O)O)OC

InChI

InChI=1S/C20H30O6/c1-4-5-6-7-8-13-26-16-10-9-15(14-17(16)25-3)11-12-20(2,18(21)22)19(23)24/h9-10,14H,4-8,11-13H2,1-3H3,(H,21,22)(H,23,24)