[(3-methylsulfanylphenyl)sulfanyl-phosphono-methyl]phosphonic acid

Systemtic Name: [(3-methylsulfanylphenyl)sulfanyl-phosphono-methyl]phosphonic acid Openeye Name: [(3-methylsulfanylphenyl)sulfanyl-phosphono-methyl]phosphonic acid CAS Name: [[[3-(methylthio)phenyl]thio]-phosphonomethyl]phosphonic acid IUPAC Name: [(3-methylsulfanylphenyl)sulfanyl-phosphonomethyl]phosphonic acid Traditional Name: [[[3-(methylthio)phenyl]thio]-phosphono-methyl]phosphonic acid Formula: C8H12O6P2S2 MolecularWeight: 330.254802

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=CC=C1)SC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CSC1=CC(=CC=C1)SC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C8H12O6P2S2/c1-17-6-3-2-4-7(5-6)18-8(15(9,10)11)16(12,13)14/h2-5,8H,1H3,(H2,9,10,11)(H2,12,13,14)