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

Systemtic Name: [[4-(2-hydroxyethylsulfanyl)phenyl]sulfanyl-phosphono-methyl]phosphonic acid Openeye Name: [[4-(2-hydroxyethylsulfanyl)phenyl]sulfanyl-phosphono-methyl]phosphonic acid CAS Name: [[[4-(2-hydroxyethylthio)phenyl]thio]-phosphonomethyl]phosphonic acid IUPAC Name: [[4-(2-hydroxyethylsulfanyl)phenyl]sulfanyl-phosphonomethyl]phosphonic acid Traditional Name: [[[4-(2-hydroxyethylthio)phenyl]thio]-phosphono-methyl]phosphonic acid Formula: C9H14O7P2S2 MolecularWeight: 360.280782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCCO)SC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC(=CC=C1SCCO)SC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C9H14O7P2S2/c10-5-6-19-7-1-3-8(4-2-7)20-9(17(11,12)13)18(14,15)16/h1-4,9-10H,5-6H2,(H2,11,12,13)(H2,14,15,16)