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

Systemtic Name: 3-[[4-butoxy-6-(3-sulfopropoxy)-1,3,5-triazin-2-yl]oxy]propane-1-sulfonic acid Openeye Name: 3-[[4-butoxy-6-(3-sulfopropoxy)-1,3,5-triazin-2-yl]oxy]propane-1-sulfonic acid CAS Name: 3-[[4-butoxy-6-(3-sulfopropoxy)-1,3,5-triazin-2-yl]oxy]-1-propanesulfonic acid IUPAC Name: 3-[[4-butoxy-6-(3-sulfopropoxy)-1,3,5-triazin-2-yl]oxy]propane-1-sulfonic acid Traditional Name: 3-[[4-butoxy-6-(3-sulfopropoxy)-s-triazin-2-yl]oxy]propane-1-sulfonic acid Formula: C13H23N3O9S2 MolecularWeight: 429.46642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC(=NC(=N1)OCCCS(=O)(=O)O)OCCCS(=O)(=O)O

Isomeric SMILES

CCCCOC1=NC(=NC(=N1)OCCCS(=O)(=O)O)OCCCS(=O)(=O)O

InChI

InChI=1S/C13H23N3O9S2/c1-2-3-6-23-11-14-12(24-7-4-9-26(17,18)19)16-13(15-11)25-8-5-10-27(20,21)22/h2-10H2,1H3,(H,17,18,19)(H,20,21,22)