[[4-(2-hydroxyethylsulfanyl)phenyl]-phosphono-methyl]phosphonic acid

Systemtic Name: [[4-(2-hydroxyethylsulfanyl)phenyl]-phosphono-methyl]phosphonic acid Openeye Name: [[4-(2-hydroxyethylsulfanyl)phenyl]-phosphono-methyl]phosphonic acid CAS Name: [[4-(2-hydroxyethylthio)phenyl]-phosphonomethyl]phosphonic acid IUPAC Name: [[4-(2-hydroxyethylsulfanyl)phenyl]-phosphonomethyl]phosphonic acid Traditional Name: [[4-(2-hydroxyethylthio)phenyl]-phosphono-methyl]phosphonic acid Formula: C9H14O7P2S MolecularWeight: 328.215782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(P(=O)(O)O)P(=O)(O)O)SCCO

Isomeric SMILES

C1=CC(=CC=C1C(P(=O)(O)O)P(=O)(O)O)SCCO

InChI

InChI=1S/C9H14O7P2S/c10-5-6-19-8-3-1-7(2-4-8)9(17(11,12)13)18(14,15)16/h1-4,9-10H,5-6H2,(H2,11,12,13)(H2,14,15,16)