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2-[(2,3-diethylphenyl)methyl]propanedioic acid

2-[(2,3-diethylphenyl)methyl]propanedioic acid

Systemtic Name:2-[(2,3-diethylphenyl)methyl]propanedioic acid
Openeye Name:2-[(2,3-diethylphenyl)methyl]propanedioic acid
CAS Name:2-[(2,3-diethylphenyl)methyl]propanedioic acid
IUPAC Name:2-[(2,3-diethylphenyl)methyl]propanedioic acid
Traditional Name:2-(2,3-diethylbenzyl)malonic acid
Formula: C14H18O4
MolecularWeight: 250.29032
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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC(C(=O)O)C(=O)O)CC


Isomeric SMILES

CCC1=C(C(=CC=C1)CC(C(=O)O)C(=O)O)CC


InChI

InChI=1S/C14H18O4/c1-3-9-6-5-7-10(11(9)4-2)8-12(13(15)16)14(17)18/h5-7,12H,3-4,8H2,1-2H3,(H,15,16)(H,17,18)


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