3-[[4,6-bis(3-sulfopropoxy)-1,3,5-triazin-2-yl]oxy]propane-1-sulfonic acid

Systemtic Name: 3-[[4,6-bis(3-sulfopropoxy)-1,3,5-triazin-2-yl]oxy]propane-1-sulfonic acid Openeye Name: 3-[[4,6-bis(3-sulfopropoxy)-1,3,5-triazin-2-yl]oxy]propane-1-sulfonic acid CAS Name: 3-[[4,6-bis(3-sulfopropoxy)-1,3,5-triazin-2-yl]oxy]-1-propanesulfonic acid IUPAC Name: 3-[[4,6-bis(3-sulfopropoxy)-1,3,5-triazin-2-yl]oxy]propane-1-sulfonic acid Traditional Name: 3-[[4,6-bis(3-sulfopropoxy)-s-triazin-2-yl]oxy]propane-1-sulfonic acid Formula: C12H21N3O12S3 MolecularWeight: 495.50304

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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

Isomeric SMILES

C(COC1=NC(=NC(=N1)OCCCS(=O)(=O)O)OCCCS(=O)(=O)O)CS(=O)(=O)O

InChI

InChI=1S/C12H21N3O12S3/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)