[2-(phenylmethylsulfanyl)-1-phosphono-ethyl]phosphonic acid

Systemtic Name: [2-(phenylmethylsulfanyl)-1-phosphono-ethyl]phosphonic acid Openeye Name: (2-benzylsulfanyl-1-phosphono-ethyl)phosphonic acid CAS Name: [2-(phenylmethylthio)-1-phosphonoethyl]phosphonic acid IUPAC Name: (2-benzylsulfanyl-1-phosphonoethyl)phosphonic acid Traditional Name: [2-(benzylthio)-1-phosphono-ethyl]phosphonic acid Formula: C9H14O6P2S MolecularWeight: 312.216382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C1=CC=C(C=C1)CSCC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C9H14O6P2S/c10-16(11,12)9(17(13,14)15)7-18-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,10,11,12)(H2,13,14,15)