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

Systemtic Name: 3-[[6-sulfanylidene-4-(3-sulfonatopropylsulfanyl)-1H-1,3,5-triazin-2-yl]sulfanyl]propane-1-sulfonate Openeye Name: 3-[[4-(3-sulfonatopropylsulfanyl)-6-thioxo-1H-1,3,5-triazin-2-yl]sulfanyl]propane-1-sulfonate CAS Name: 3-[[6-sulfanylidene-4-(3-sulfonatopropylthio)-1H-1,3,5-triazin-2-yl]thio]-1-propanesulfonate IUPAC Name: 3-[[6-sulfanylidene-4-(3-sulfonatopropylsulfanyl)-1H-1,3,5-triazin-2-yl]sulfanyl]propane-1-sulfonate Traditional Name: 3-[[4-(3-sulfonatopropylthio)-6-thioxo-1H-s-triazin-2-yl]thio]propane-1-sulfonate Formula: C9H13N3O6S5-2 MolecularWeight: 419.54102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(CSC1=NC(=NC(=S)N1)SCCCS(=O)(=O)[O-])CS(=O)(=O)[O-]

Isomeric SMILES

C(CSC1=NC(=NC(=S)N1)SCCCS(=O)(=O)[O-])CS(=O)(=O)[O-]

InChI

InChI=1S/C9H15N3O6S5/c13-22(14,15)5-1-3-20-8-10-7(19)11-9(12-8)21-4-2-6-23(16,17)18/h1-6H2,(H,13,14,15)(H,16,17,18)(H,10,11,12,19)/p-2