[2-[3,5-bis(ethanoylsulfanylmethyl)phenyl]-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-[3,5-bis(ethanoylsulfanylmethyl)phenyl]-1-phosphono-ethyl]phosphonic acid Openeye Name: [2-[3,5-bis(acetylsulfanylmethyl)phenyl]-1-phosphono-ethyl]phosphonic acid CAS Name: [2-[3,5-bis[(acetylthio)methyl]phenyl]-1-phosphonoethyl]phosphonic acid IUPAC Name: [2-[3,5-bis(acetylsulfanylmethyl)phenyl]-1-phosphonoethyl]phosphonic acid Traditional Name: [2-[3,5-bis[(acetylthio)methyl]phenyl]-1-phosphono-ethyl]phosphonic acid Formula: C14H20O8P2S2 MolecularWeight: 442.381322

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC1=CC(=CC(=C1)CC(P(=O)(O)O)P(=O)(O)O)CSC(=O)C

Isomeric SMILES

CC(=O)SCC1=CC(=CC(=C1)CC(P(=O)(O)O)P(=O)(O)O)CSC(=O)C

InChI

InChI=1S/C14H20O8P2S2/c1-9(15)25-7-12-3-11(4-13(5-12)8-26-10(2)16)6-14(23(17,18)19)24(20,21)22/h3-5,14H,6-8H2,1-2H3,(H2,17,18,19)(H2,20,21,22)