(4-phenylsulfanyl-1-phosphono-butyl)phosphonic acid

Systemtic Name: (4-phenylsulfanyl-1-phosphono-butyl)phosphonic acid Openeye Name: (4-phenylsulfanyl-1-phosphono-butyl)phosphonic acid CAS Name: [4-(phenylthio)-1-phosphonobutyl]phosphonic acid IUPAC Name: (4-phenylsulfanyl-1-phosphonobutyl)phosphonic acid Traditional Name: [4-(phenylthio)-1-phosphono-butyl]phosphonic acid Formula: C10H16O6P2S MolecularWeight: 326.242962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H16O6P2S/c11-17(12,13)10(18(14,15)16)7-4-8-19-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H2,11,12,13)(H2,14,15,16)