sodium 2-benzamidoethanoate hydrate

Systemtic Name: sodium 2-benzamidoethanoate hydrate Openeye Name: sodium 2-benzamidoacetate hydrate CAS Name: sodium 2-benzamidoacetate hydrate IUPAC Name: sodium 2-benzamidoacetate hydrate Traditional Name: sodium 2-benzamidoacetate hydrate Formula: C9H10NNaO4 MolecularWeight: 219.16977

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9NO3.Na.H2O/c11-8(12)6-10-9(13)7-4-2-1-3-5-7;;/h1-5H,6H2,(H,10,13)(H,11,12);;1H2/q;+1;/p-1