disodium [4-(4-methylsulfanylphenyl)sulfanyl-1-oxidanyl-1-phosphonato-butyl]phosphonic acid

Systemtic Name: disodium [4-(4-methylsulfanylphenyl)sulfanyl-1-oxidanyl-1-phosphonato-butyl]phosphonic acid Openeye Name: disodium [1-hydroxy-4-(4-methylsulfanylphenyl)sulfanyl-1-phosphonato-butyl]phosphonic acid CAS Name: disodium [1-hydroxy-4-[[4-(methylthio)phenyl]thio]-1-phosphonatobutyl]phosphonic acid IUPAC Name: disodium [1-hydroxy-4-(4-methylsulfanylphenyl)sulfanyl-1-phosphonatobutyl]phosphonic acid Traditional Name: disodium [1-hydroxy-4-[[4-(methylthio)phenyl]thio]-1-phosphonato-butyl]phosphonic acid Formula: C11H16Na2O7P2S2 MolecularWeight: 432.297602

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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-].[Na+].[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C11H18O7P2S2.2Na/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);;/q;2*+1/p-2