disodium 4-[1,3-benzoxazol-6-yl-(4-oxidanidyl-4-oxidanylidene-butyl)amino]butanoate

Systemtic Name: disodium 4-[1,3-benzoxazol-6-yl-(4-oxidanidyl-4-oxidanylidene-butyl)amino]butanoate Openeye Name: disodium 4-[1,3-benzoxazol-6-yl-(4-oxido-4-oxo-butyl)amino]butanoate CAS Name: disodium 4-[1,3-benzoxazol-6-yl-(4-oxido-4-oxobutyl)amino]butanoate IUPAC Name: disodium 4-[1,3-benzoxazol-6-yl-(4-oxido-4-oxobutyl)amino]butanoate Traditional Name: disodium 4-[1,3-benzoxazol-6-yl-(4-keto-4-oxido-butyl)amino]butyrate Formula: C15H16N2Na2O5 MolecularWeight: 350.27748

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1N(CCCC(=O)[O-])CCCC(=O)[O-])OC=N2.[Na+].[Na+]

Isomeric SMILES

C1=CC2=C(C=C1N(CCCC(=O)[O-])CCCC(=O)[O-])OC=N2.[Na+].[Na+]

InChI

InChI=1S/C15H18N2O5.2Na/c18-14(19)3-1-7-17(8-2-4-15(20)21)11-5-6-12-13(9-11)22-10-16-12;;/h5-6,9-10H,1-4,7-8H2,(H,18,19)(H,20,21);;/q;2*+1/p-2