2-butyl-2-[2-(4-heptoxyphenyl)ethyl]propanedioic acid

Systemtic Name: 2-butyl-2-[2-(4-heptoxyphenyl)ethyl]propanedioic acid Openeye Name: 2-butyl-2-[2-(4-heptoxyphenyl)ethyl]propanedioic acid CAS Name: 2-butyl-2-[2-(4-heptoxyphenyl)ethyl]propanedioic acid IUPAC Name: 2-butyl-2-[2-(4-heptoxyphenyl)ethyl]propanedioic acid Traditional Name: 2-butyl-2-[2-(4-heptoxyphenyl)ethyl]malonic acid Formula: C22H34O5 MolecularWeight: 378.50236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)CCC(CCCC)(C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)CCC(CCCC)(C(=O)O)C(=O)O

InChI

InChI=1S/C22H34O5/c1-3-5-7-8-9-17-27-19-12-10-18(11-13-19)14-16-22(20(23)24,21(25)26)15-6-4-2/h10-13H,3-9,14-17H2,1-2H3,(H,23,24)(H,25,26)