[(4-chloranylphenyl)sulfanyl-phosphono-methyl]phosphonic acid

Systemtic Name: [(4-chloranylphenyl)sulfanyl-phosphono-methyl]phosphonic acid Openeye Name: [(4-chlorophenyl)sulfanyl-phosphono-methyl]phosphonic acid CAS Name: [[(4-chlorophenyl)thio]-phosphonomethyl]phosphonic acid IUPAC Name: [(4-chlorophenyl)sulfanyl-phosphonomethyl]phosphonic acid Traditional Name: [[(4-chlorophenyl)thio]-phosphono-methyl]phosphonic acid Formula: C7H9ClO6P2S MolecularWeight: 330.563534

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SC(P(=O)(O)O)P(=O)(O)O)Cl

Isomeric SMILES

[14CH]1=[14CH][14C](=[14CH][14CH]=[14C]1SC(P(=O)(O)O)P(=O)(O)O)Cl

InChI

InChI=1S/C7H9ClO6P2S/c8-5-1-3-6(4-2-5)17-7(15(9,10)11)16(12,13)14/h1-4,7H,(H2,9,10,11)(H2,12,13,14)/i1+2,2+2,3+2,4+2,5+2,6+2