pentaazanium 2,2,3-trisulfobutanedioate

Systemtic Name: pentaazanium 2,2,3-trisulfobutanedioate Openeye Name: pentaammonium 2,2,3-trisulfobutanedioate CAS Name: pentaammonium 2,2,3-trisulfobutanedioate IUPAC Name: pentaazanium 2,2,3-trisulfobutanedioate Traditional Name: pentaammonium 2,2,3-trisulfosuccinate Formula: C4H24N5O13S3+3 MolecularWeight: 446.45406

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Descriptors Computed from Structure

Canonical SMILES:

C(C(=O)[O-])(C(C(=O)[O-])(S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O.[NH4+].[NH4+].[NH4+].[NH4+].[NH4+]

Isomeric SMILES

C(C(=O)[O-])(C(C(=O)[O-])(S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O.[NH4+].[NH4+].[NH4+].[NH4+].[NH4+]

InChI

InChI=1S/C4H6O13S3.5H3N/c5-2(6)1(18(9,10)11)4(3(7)8,19(12,13)14)20(15,16)17;;;;;/h1H,(H,5,6)(H,7,8)(H,9,10,11)(H,12,13,14)(H,15,16,17);5*1H3/p+3