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

Systemtic Name: 3-[[4-butoxy-6-(3-sulfonatopropoxy)-1,3,5-triazin-2-yl]oxy]propane-1-sulfonate Openeye Name: 3-[[4-butoxy-6-(3-sulfonatopropoxy)-1,3,5-triazin-2-yl]oxy]propane-1-sulfonate CAS Name: 3-[[4-butoxy-6-(3-sulfonatopropoxy)-1,3,5-triazin-2-yl]oxy]-1-propanesulfonate IUPAC Name: 3-[[4-butoxy-6-(3-sulfonatopropoxy)-1,3,5-triazin-2-yl]oxy]propane-1-sulfonate Traditional Name: 3-[[4-butoxy-6-(3-sulfonatopropoxy)-s-triazin-2-yl]oxy]propane-1-sulfonate Formula: C13H21N3O9S2-2 MolecularWeight: 427.45054

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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)/p-2