[(4-phenylsulfanylphenyl)-phosphono-methyl]phosphonic acid

Systemtic Name: [(4-phenylsulfanylphenyl)-phosphono-methyl]phosphonic acid Openeye Name: [(4-phenylsulfanylphenyl)-phosphono-methyl]phosphonic acid CAS Name: [[4-(phenylthio)phenyl]-phosphonomethyl]phosphonic acid IUPAC Name: [(4-phenylsulfanylphenyl)-phosphonomethyl]phosphonic acid Traditional Name: [[4-(phenylthio)phenyl]-phosphono-methyl]phosphonic acid Formula: C13H14O6P2S MolecularWeight: 360.259182

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=C(C=C2)C(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=C(C=C2)C(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C13H14O6P2S/c14-20(15,16)13(21(17,18)19)10-6-8-12(9-7-10)22-11-4-2-1-3-5-11/h1-9,13H,(H2,14,15,16)(H2,17,18,19)