2-[2-(4-heptoxyphenyl)ethyl]-2-propan-2-yl-propanedioic acid

Systemtic Name: 2-[2-(4-heptoxyphenyl)ethyl]-2-propan-2-yl-propanedioic acid Openeye Name: 2-[2-(4-heptoxyphenyl)ethyl]-2-isopropyl-propanedioic acid CAS Name: 2-[2-(4-heptoxyphenyl)ethyl]-2-propan-2-ylpropanedioic acid IUPAC Name: 2-[2-(4-heptoxyphenyl)ethyl]-2-propan-2-ylpropanedioic acid Traditional Name: 2-[2-(4-heptoxyphenyl)ethyl]-2-isopropyl-malonic acid Formula: C21H32O5 MolecularWeight: 364.47578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32O5/c1-4-5-6-7-8-15-26-18-11-9-17(10-12-18)13-14-21(16(2)3,19(22)23)20(24)25/h9-12,16H,4-8,13-15H2,1-3H3,(H,22,23)(H,24,25)