dizinc; 3-(aminomethyl)-2,4-bis(azanyl)pentane-1,3,5-trisulfonate; 2-azanylethanesulfonate

Systemtic Name: dizinc; 3-(aminomethyl)-2,4-bis(azanyl)pentane-1,3,5-trisulfonate; 2-azanylethanesulfonate Openeye Name: dizinc; 2-aminoethanesulfonate; 2,4-diamino-3-(aminomethyl)pentane-1,3,5-trisulfonate CAS Name: dizinc; 2-aminoethanesulfonate; 2,4-diamino-3-(aminomethyl)pentane-1,3,5-trisulfonate IUPAC Name: dizinc; 2-aminoethanesulfonate; 2,4-diamino-3-(aminomethyl)pentane-1,3,5-trisulfonate Traditional Name: dizinc; 2-aminoethanesulfonate; 2,4-diamino-3-(aminomethyl)pentane-1,3,5-trisulfonate Formula: C8H20N4O12S4Zn2 MolecularWeight: 623.342

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Descriptors Computed from Structure

Canonical SMILES:

C(CS(=O)(=O)[O-])N.C(C(C(CN)(C(CS(=O)(=O)[O-])N)S(=O)(=O)[O-])N)S(=O)(=O)[O-].[Zn+2].[Zn+2]

Isomeric SMILES

C(CS(=O)(=O)[O-])N.C(C(C(CN)(C(CS(=O)(=O)[O-])N)S(=O)(=O)[O-])N)S(=O)(=O)[O-].[Zn+2].[Zn+2]

InChI

InChI=1S/C6H17N3O9S3.C2H7NO3S.2Zn/c7-3-6(21(16,17)18,4(8)1-19(10,11)12)5(9)2-20(13,14)15;3-1-2-7(4,5)6;;/h4-5H,1-3,7-9H2,(H,10,11,12)(H,13,14,15)(H,16,17,18);1-3H2,(H,4,5,6);;/q;;2*+2/p-4