disodium 2-[(4-octylphenyl)methyl-bis(2-oxidanidyl-2-oxidanylidene-ethyl)azaniumyl]ethanoate

Systemtic Name: disodium 2-[(4-octylphenyl)methyl-bis(2-oxidanidyl-2-oxidanylidene-ethyl)azaniumyl]ethanoate Openeye Name: disodium 2-[(4-octylphenyl)methyl-bis(2-oxido-2-oxo-ethyl)ammonio]acetate CAS Name: disodium 2-[(4-octylphenyl)methyl-bis(2-oxido-2-oxoethyl)ammonio]acetate IUPAC Name: disodium 2-[(4-octylphenyl)methyl-bis(2-oxido-2-oxoethyl)azaniumyl]acetate Traditional Name: disodium 2-[bis(2-keto-2-oxido-ethyl)-(4-octylbenzyl)ammonio]acetate Formula: C21H29NNa2O6 MolecularWeight: 437.4376

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C[N+](CC(=O)[O-])(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C[N+](CC(=O)[O-])(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C21H31NO6.2Na/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-22(14-19(23)24,15-20(25)26)16-21(27)28;;/h9-12H,2-8,13-16H2,1H3,(H2-,23,24,25,26,27,28);;/q;2*+1/p-2