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sodium 4-oxidanylidene-4-(phenethylamino)butanoate

sodium 4-oxidanylidene-4-(phenethylamino)butanoate

Systemtic Name:sodium 4-oxidanylidene-4-(phenethylamino)butanoate
Openeye Name:sodium 4-oxo-4-(phenethylamino)butanoate
CAS Name:sodium 4-oxo-4-(phenethylamino)butanoate
IUPAC Name:sodium 4-oxo-4-(phenethylamino)butanoate
Traditional Name:sodium 4-keto-4-(phenethylamino)butyrate
Formula: C12H14NNaO3
MolecularWeight: 243.23423
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C12H15NO3.Na/c14-11(6-7-12(15)16)13-9-8-10-4-2-1-3-5-10;/h1-5H,6-9H2,(H,13,14)(H,15,16);/q;+1/p-1


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