2-[2-(4-heptoxyphenyl)pent-4-enyl]propanedioic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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