2-butyl-2-(phenylmethyl)propanedioic acid

Systemtic Name: 2-butyl-2-(phenylmethyl)propanedioic acid Openeye Name: 2-benzyl-2-butyl-propanedioic acid CAS Name: 2-butyl-2-(phenylmethyl)propanedioic acid IUPAC Name: 2-benzyl-2-butylpropanedioic acid Traditional Name: 2-benzyl-2-butyl-malonic acid Formula: C14H18O4 MolecularWeight: 250.29032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC1=CC=CC=C1)(C(=O)O)C(=O)O

Isomeric SMILES

CCCCC(CC1=CC=CC=C1)(C(=O)O)C(=O)O

InChI

InChI=1S/C14H18O4/c1-2-3-9-14(12(15)16,13(17)18)10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3,(H,15,16)(H,17,18)