trisodium 3-[[4,6-bis(3-sulfonatopropylsulfanyl)-1,3,5-triazin-2-yl]sulfanyl]propane-1-sulfonate

Systemtic Name: trisodium 3-[[4,6-bis(3-sulfonatopropylsulfanyl)-1,3,5-triazin-2-yl]sulfanyl]propane-1-sulfonate Openeye Name: trisodium 3-[[4,6-bis(3-sulfonatopropylsulfanyl)-1,3,5-triazin-2-yl]sulfanyl]propane-1-sulfonate CAS Name: trisodium 3-[[4,6-bis(3-sulfonatopropylthio)-1,3,5-triazin-2-yl]thio]-1-propanesulfonate IUPAC Name: trisodium 3-[[4,6-bis(3-sulfonatopropylsulfanyl)-1,3,5-triazin-2-yl]sulfanyl]propane-1-sulfonate Traditional Name: trisodium 3-[[4,6-bis(3-sulfonatopropylthio)-s-triazin-2-yl]thio]propane-1-sulfonate Formula: C12H18N3Na3O9S6 MolecularWeight: 609.64533

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Descriptors Computed from Structure

Canonical SMILES:

C(CSC1=NC(=NC(=N1)SCCCS(=O)(=O)[O-])SCCCS(=O)(=O)[O-])CS(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C(CSC1=NC(=NC(=N1)SCCCS(=O)(=O)[O-])SCCCS(=O)(=O)[O-])CS(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C12H21N3O9S6.3Na/c16-28(17,18)7-1-4-25-10-13-11(26-5-2-8-29(19,20)21)15-12(14-10)27-6-3-9-30(22,23)24;;;/h1-9H2,(H,16,17,18)(H,19,20,21)(H,22,23,24);;;/q;3*+1/p-3