disodium 2-(phenylmethyl)butanedioate

Systemtic Name: disodium 2-(phenylmethyl)butanedioate Openeye Name: disodium 2-benzylbutanedioate CAS Name: disodium 2-(phenylmethyl)butanedioate IUPAC Name: disodium 2-benzylbutanedioate Traditional Name: disodium 2-benzylsuccinate Formula: C11H10Na2O4 MolecularWeight: 252.17424

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12O4.2Na/c12-10(13)7-9(11(14)15)6-8-4-2-1-3-5-8;;/h1-5,9H,6-7H2,(H,12,13)(H,14,15);;/q;2*+1/p-2