3-[[6-sulfanylidene-4-(3-sulfopropylsulfanyl)-1H-1,3,5-triazin-2-yl]sulfanyl]propane-1-sulfonic acid

Systemtic Name: 3-[[6-sulfanylidene-4-(3-sulfopropylsulfanyl)-1H-1,3,5-triazin-2-yl]sulfanyl]propane-1-sulfonic acid Openeye Name: 3-[[4-(3-sulfopropylsulfanyl)-6-thioxo-1H-1,3,5-triazin-2-yl]sulfanyl]propane-1-sulfonic acid CAS Name: 3-[[6-sulfanylidene-4-(3-sulfopropylthio)-1H-1,3,5-triazin-2-yl]thio]-1-propanesulfonic acid IUPAC Name: 3-[[6-sulfanylidene-4-(3-sulfopropylsulfanyl)-1H-1,3,5-triazin-2-yl]sulfanyl]propane-1-sulfonic acid Traditional Name: 3-[[4-(3-sulfopropylthio)-6-thioxo-1H-s-triazin-2-yl]thio]propane-1-sulfonic acid Formula: C9H15N3O6S5 MolecularWeight: 421.5569

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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)