4-(4-methylsulfanylphenyl)sulfanyl-1,1-diphosphonato-butan-1-ol

Systemtic Name: 4-(4-methylsulfanylphenyl)sulfanyl-1,1-diphosphonato-butan-1-ol Openeye Name: 4-(4-methylsulfanylphenyl)sulfanyl-1,1-diphosphonato-butan-1-ol CAS Name: 4-[[4-(methylthio)phenyl]thio]-1,1-diphosphonato-1-butanol IUPAC Name: 4-(4-methylsulfanylphenyl)sulfanyl-1,1-diphosphonatobutan-1-ol Traditional Name: 4-[[4-(methylthio)phenyl]thio]-1,1-diphosphonato-butan-1-ol Formula: C11H14O7P2S2-4 MolecularWeight: 384.302182

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)SCCCC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-]

Isomeric SMILES

CSC1=CC=C(C=C1)SCCCC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-]

InChI

InChI=1S/C11H18O7P2S2/c1-21-9-3-5-10(6-4-9)22-8-2-7-11(12,19(13,14)15)20(16,17)18/h3-6,12H,2,7-8H2,1H3,(H2,13,14,15)(H2,16,17,18)/p-4