2-ethyl-2-phenethyl-propanedioic acid

Systemtic Name: 2-ethyl-2-phenethyl-propanedioic acid Openeye Name: 2-ethyl-2-phenethyl-propanedioic acid CAS Name: 2-ethyl-2-phenethylpropanedioic acid IUPAC Name: 2-ethyl-2-phenethylpropanedioic acid Traditional Name: 2-ethyl-2-phenethyl-malonic acid Formula: C13H16O4 MolecularWeight: 236.26374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16O4/c1-2-13(11(14)15,12(16)17)9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,14,15)(H,16,17)