disodium 2-deuterio-2-phenyl-propanedioate

Systemtic Name: disodium 2-deuterio-2-phenyl-propanedioate Openeye Name: disodium 2-deuterio-2-phenyl-propanedioate CAS Name: disodium 2-deuterio-2-phenylpropanedioate IUPAC Name: disodium 2-deuterio-2-phenylpropanedioate Traditional Name: disodium 2-deuterio-2-phenyl-malonate Formula: C9H6Na2O4 MolecularWeight: 225.127242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)[O-])C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

[2H]C(C1=CC=CC=C1)(C(=O)[O-])C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C9H8O4.2Na/c10-8(11)7(9(12)13)6-4-2-1-3-5-6;;/h1-5,7H,(H,10,11)(H,12,13);;/q;2*+1/p-2/i7D;;