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

Systemtic Name: 2-[2-(4-heptoxyphenyl)ethyl]propanedioic acid Openeye Name: 2-[2-(4-heptoxyphenyl)ethyl]propanedioic acid CAS Name: 2-[2-(4-heptoxyphenyl)ethyl]propanedioic acid IUPAC Name: 2-[2-(4-heptoxyphenyl)ethyl]propanedioic acid Traditional Name: 2-[2-(4-heptoxyphenyl)ethyl]malonic acid Formula: C18H26O5 MolecularWeight: 322.39604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26O5/c1-2-3-4-5-6-13-23-15-10-7-14(8-11-15)9-12-16(17(19)20)18(21)22/h7-8,10-11,16H,2-6,9,12-13H2,1H3,(H,19,20)(H,21,22)