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

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

Systemtic Name:2-[2-(4-heptoxyphenyl)ethyl]-2-(phenylmethyl)propanedioic acid
Openeye Name:2-benzyl-2-[2-(4-heptoxyphenyl)ethyl]propanedioic acid
CAS Name:2-[2-(4-heptoxyphenyl)ethyl]-2-(phenylmethyl)propanedioic acid
IUPAC Name:2-benzyl-2-[2-(4-heptoxyphenyl)ethyl]propanedioic acid
Traditional Name:2-benzyl-2-[2-(4-heptoxyphenyl)ethyl]malonic acid
Formula: C25H32O5
MolecularWeight: 412.51858
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)CCC(CC2=CC=CC=C2)(C(=O)O)C(=O)O


Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)CCC(CC2=CC=CC=C2)(C(=O)O)C(=O)O


InChI

InChI=1S/C25H32O5/c1-2-3-4-5-9-18-30-22-14-12-20(13-15-22)16-17-25(23(26)27,24(28)29)19-21-10-7-6-8-11-21/h6-8,10-15H,2-5,9,16-19H2,1H3,(H,26,27)(H,28,29)


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