2-phenylmethoxy-2-propan-2-yl-propanedioic acid

Systemtic Name: 2-phenylmethoxy-2-propan-2-yl-propanedioic acid Openeye Name: 2-benzyloxy-2-isopropyl-propanedioic acid CAS Name: 2-phenylmethoxy-2-propan-2-ylpropanedioic acid IUPAC Name: 2-phenylmethoxy-2-propan-2-ylpropanedioic acid Traditional Name: 2-benzoxy-2-isopropyl-malonic acid Formula: C13H16O5 MolecularWeight: 252.26314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)(C(=O)O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)C(C(=O)O)(C(=O)O)OCC1=CC=CC=C1

InChI

InChI=1S/C13H16O5/c1-9(2)13(11(14)15,12(16)17)18-8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,14,15)(H,16,17)