2,2,3-trisulfobutanedioate tetrahydrate

Systemtic Name: 2,2,3-trisulfobutanedioate tetrahydrate Openeye Name: 2,2,3-trisulfobutanedioate tetrahydrate CAS Name: 2,2,3-trisulfobutanedioate tetrahydrate IUPAC Name: 2,2,3-trisulfobutanedioate tetrahydrate Traditional Name: 2,2,3-trisulfosuccinate tetrahydrate Formula: C4H12O17S3-2 MolecularWeight: 428.32288

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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.O.O.O.O

Isomeric SMILES

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

InChI

InChI=1S/C4H6O13S3.4H2O/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);4*1H2/p-2