2-azanylethanesulfonic acid; 2-oxidanylpropane-1,2,3-tricarboxylate

Systemtic Name: 2-azanylethanesulfonic acid; 2-oxidanylpropane-1,2,3-tricarboxylate Openeye Name: 2-aminoethanesulfonic acid citrate CAS Name: 2-aminoethanesulfonic acid; 2-hydroxypropane-1,2,3-tricarboxylate IUPAC Name: 2-aminoethanesulfonic acid; 2-hydroxypropane-1,2,3-tricarboxylate Traditional Name: 2-aminoethanesulfonic acid citrate Formula: C8H12NO10S-3 MolecularWeight: 314.24658

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Descriptors Computed from Structure

Canonical SMILES:

C(CS(=O)(=O)O)N.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

Isomeric SMILES

C(CS(=O)(=O)O)N.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O

InChI

InChI=1S/C6H8O7.C2H7NO3S/c7-3(8)1-6(13,5(11)12)2-4(9)10;3-1-2-7(4,5)6/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1-3H2,(H,4,5,6)/p-3