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

Systemtic Name: 2-[2-(4-heptoxyphenyl)ethyl]-2-prop-2-enyl-propanedioic acid Openeye Name: 2-allyl-2-[2-(4-heptoxyphenyl)ethyl]propanedioic acid CAS Name: 2-[2-(4-heptoxyphenyl)ethyl]-2-prop-2-enylpropanedioic acid IUPAC Name: 2-[2-(4-heptoxyphenyl)ethyl]-2-prop-2-enylpropanedioic acid Traditional Name: 2-allyl-2-[2-(4-heptoxyphenyl)ethyl]malonic acid Formula: C21H30O5 MolecularWeight: 362.4599

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30O5/c1-3-5-6-7-8-16-26-18-11-9-17(10-12-18)13-15-21(14-4-2,19(22)23)20(24)25/h4,9-12H,2-3,5-8,13-16H2,1H3,(H,22,23)(H,24,25)