trisodium 2-(sulfonatomethyl)butane-1,4-disulfonate

Systemtic Name: trisodium 2-(sulfonatomethyl)butane-1,4-disulfonate Openeye Name: trisodium 2-(sulfonatomethyl)butane-1,4-disulfonate CAS Name: trisodium 2-(sulfonatomethyl)butane-1,4-disulfonate IUPAC Name: trisodium 2-(sulfonatomethyl)butane-1,4-disulfonate Traditional Name: trisodium 2-(sulfonatomethyl)butane-1,4-disulfonate Formula: C5H9Na3O9S3 MolecularWeight: 378.28387

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Descriptors Computed from Structure

Canonical SMILES:

C(CS(=O)(=O)[O-])C(CS(=O)(=O)[O-])CS(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C(CS(=O)(=O)[O-])C(CS(=O)(=O)[O-])CS(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C5H12O9S3.3Na/c6-15(7,8)2-1-5(3-16(9,10)11)4-17(12,13)14;;;/h5H,1-4H2,(H,6,7,8)(H,9,10,11)(H,12,13,14);;;/q;3*+1/p-3