disodium 4-[(4-methylphenyl)-(4-oxidanidyl-4-oxidanylidene-butyl)amino]butanoate

Systemtic Name: disodium 4-[(4-methylphenyl)-(4-oxidanidyl-4-oxidanylidene-butyl)amino]butanoate Openeye Name: disodium 4-(4-methyl-N-(4-oxido-4-oxo-butyl)anilino)butanoate CAS Name: disodium 4-(4-methyl-N-(4-oxido-4-oxobutyl)anilino)butanoate IUPAC Name: disodium 4-(4-methyl-N-(4-oxido-4-oxobutyl)anilino)butanoate Traditional Name: disodium 4-(N-(4-keto-4-oxido-butyl)-4-methyl-anilino)butyrate Formula: C15H19NNa2O4 MolecularWeight: 323.2952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(CCCC(=O)[O-])CCCC(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)N(CCCC(=O)[O-])CCCC(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C15H21NO4.2Na/c1-12-6-8-13(9-7-12)16(10-2-4-14(17)18)11-3-5-15(19)20;;/h6-9H,2-5,10-11H2,1H3,(H,17,18)(H,19,20);;/q;2*+1/p-2