sodium 2,3-bis(sulfanyl)propane-1-sulfonate hydrate

Systemtic Name: sodium 2,3-bis(sulfanyl)propane-1-sulfonate hydrate Openeye Name: sodium 2,3-bis(sulfanyl)propane-1-sulfonate hydrate CAS Name: sodium 2,3-dimercapto-1-propanesulfonate hydrate IUPAC Name: sodium 2,3-bis(sulfanyl)propane-1-sulfonate hydrate Traditional Name: sodium 2,3-dimercaptopropane-1-sulfonate hydrate Formula: C3H9NaO4S3 MolecularWeight: 228.28593

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C3H8O3S3.Na.H2O/c4-9(5,6)2-3(8)1-7;;/h3,7-8H,1-2H2,(H,4,5,6);;1H2/q;+1;/p-1