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

Systemtic Name: trisodium 3-[[4,6-bis(3-sulfonatopropoxy)-1,3,5-triazin-2-yl]oxy]propane-1-sulfonate Openeye Name: trisodium 3-[[4,6-bis(3-sulfonatopropoxy)-1,3,5-triazin-2-yl]oxy]propane-1-sulfonate CAS Name: trisodium 3-[[4,6-bis(3-sulfonatopropoxy)-1,3,5-triazin-2-yl]oxy]-1-propanesulfonate IUPAC Name: trisodium 3-[[4,6-bis(3-sulfonatopropoxy)-1,3,5-triazin-2-yl]oxy]propane-1-sulfonate Traditional Name: trisodium 3-[[4,6-bis(3-sulfonatopropoxy)-s-triazin-2-yl]oxy]propane-1-sulfonate Formula: C12H18N3Na3O12S3 MolecularWeight: 561.44853

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Descriptors Computed from Structure

Canonical SMILES:

C(COC1=NC(=NC(=N1)OCCCS(=O)(=O)[O-])OCCCS(=O)(=O)[O-])CS(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

C(COC1=NC(=NC(=N1)OCCCS(=O)(=O)[O-])OCCCS(=O)(=O)[O-])CS(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C12H21N3O12S3.3Na/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