disodium 3-(3-sulfonatopropylsulfanyl)propane-1-sulfonate

Systemtic Name: disodium 3-(3-sulfonatopropylsulfanyl)propane-1-sulfonate Openeye Name: disodium 3-(3-sulfonatopropylsulfanyl)propane-1-sulfonate CAS Name: disodium 3-(3-sulfonatopropylthio)-1-propanesulfonate IUPAC Name: disodium 3-(3-sulfonatopropylsulfanyl)propane-1-sulfonate Traditional Name: disodium 3-(3-sulfonatopropylthio)propane-1-sulfonate Formula: C6H12Na2O6S3 MolecularWeight: 322.33042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H14O6S3.2Na/c7-14(8,9)5-1-3-13-4-2-6-15(10,11)12;;/h1-6H2,(H,7,8,9)(H,10,11,12);;/q;2*+1/p-2