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2-phenethyl-2-(phenylmethyl)propanedioic acid

2-phenethyl-2-(phenylmethyl)propanedioic acid

Systemtic Name:2-phenethyl-2-(phenylmethyl)propanedioic acid
Openeye Name:2-benzyl-2-phenethyl-propanedioic acid
CAS Name:2-phenethyl-2-(phenylmethyl)propanedioic acid
IUPAC Name:2-benzyl-2-phenethylpropanedioic acid
Traditional Name:2-benzyl-2-phenethyl-malonic acid
Formula: C18H18O4
MolecularWeight: 298.33312
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C18H18O4/c19-16(20)18(17(21)22,13-15-9-5-2-6-10-15)12-11-14-7-3-1-4-8-14/h1-10H,11-13H2,(H,19,20)(H,21,22)


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