trisodium 3-[bis(3-sulfopropoxy)phosphinothioyloxy]propane-1-sulfonic acid

Systemtic Name: trisodium 3-[bis(3-sulfopropoxy)phosphinothioyloxy]propane-1-sulfonic acid Openeye Name: trisodium 3-[bis(3-sulfopropoxy)phosphinothioyloxy]propane-1-sulfonic acid CAS Name: trisodium 3-[bis(3-sulfopropoxy)phosphinothioyloxy]-1-propanesulfonic acid IUPAC Name: trisodium 3-[bis(3-sulfopropoxy)phosphinothioyloxy]propane-1-sulfonic acid Traditional Name: trisodium 3-[bis(3-sulfopropoxy)thiophosphoryloxy]propane-1-sulfonic acid Formula: C9H21Na3O12PS4+3 MolecularWeight: 549.458911

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H21O12PS4.3Na/c10-24(11,12)7-1-4-19-22(23,20-5-2-8-25(13,14)15)21-6-3-9-26(16,17)18;;;/h1-9H2,(H,10,11,12)(H,13,14,15)(H,16,17,18);;;/q;3*+1