[(3-methyl-4-methylsulfanyl-phenyl)sulfanyl-phosphono-methyl]phosphonic acid

Systemtic Name: [(3-methyl-4-methylsulfanyl-phenyl)sulfanyl-phosphono-methyl]phosphonic acid Openeye Name: [(3-methyl-4-methylsulfanyl-phenyl)sulfanyl-phosphono-methyl]phosphonic acid CAS Name: [[[3-methyl-4-(methylthio)phenyl]thio]-phosphonomethyl]phosphonic acid IUPAC Name: [(3-methyl-4-methylsulfanylphenyl)sulfanyl-phosphonomethyl]phosphonic acid Traditional Name: [[[3-methyl-4-(methylthio)phenyl]thio]-phosphono-methyl]phosphonic acid Formula: C9H14O6P2S2 MolecularWeight: 344.281382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SC(P(=O)(O)O)P(=O)(O)O)SC

Isomeric SMILES

CC1=C(C=CC(=C1)SC(P(=O)(O)O)P(=O)(O)O)SC

InChI

InChI=1S/C9H14O6P2S2/c1-6-5-7(3-4-8(6)18-2)19-9(16(10,11)12)17(13,14)15/h3-5,9H,1-2H3,(H2,10,11,12)(H2,13,14,15)