2-[3-(4-methylphenoxy)propyl]propanedioic acid

Systemtic Name: 2-[3-(4-methylphenoxy)propyl]propanedioic acid Openeye Name: 2-[3-(4-methylphenoxy)propyl]propanedioic acid CAS Name: 2-[3-(4-methylphenoxy)propyl]propanedioic acid IUPAC Name: 2-[3-(4-methylphenoxy)propyl]propanedioic acid Traditional Name: 2-[3-(4-methylphenoxy)propyl]malonic acid Formula: C13H16O5 MolecularWeight: 252.26314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCCC(C(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)OCCCC(C(=O)O)C(=O)O

InChI

InChI=1S/C13H16O5/c1-9-4-6-10(7-5-9)18-8-2-3-11(12(14)15)13(16)17/h4-7,11H,2-3,8H2,1H3,(H,14,15)(H,16,17)