(2S)-2-(azanylmethylideneamino)pentanedioate; barium

Systemtic Name: (2S)-2-(azanylmethylideneamino)pentanedioate; barium Openeye Name: (2S)-2-(aminomethyleneamino)pentanedioate; barium CAS Name: (2S)-2-(aminomethylideneamino)pentanedioate; barium IUPAC Name: (2S)-2-(aminomethylideneamino)pentanedioate; barium Traditional Name: (2S)-2-(aminomethyleneamino)glutarate; barium Formula: C12H16BaN4O8-4 MolecularWeight: 481.60444

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(=O)[O-])C(C(=O)[O-])N=CN.C(CC(=O)[O-])C(C(=O)[O-])N=CN.[Ba]

Isomeric SMILES

C(CC(=O)[O-])[C@@H](C(=O)[O-])N=CN.C(CC(=O)[O-])[C@@H](C(=O)[O-])N=CN.[Ba]

InChI

InChI=1S/2C6H10N2O4.Ba/c2*7-3-8-4(6(11)12)1-2-5(9)10;/h2*3-4H,1-2H2,(H2,7,8)(H,9,10)(H,11,12);/p-4/t2*4-;/m00./s1