(1-azanyl-1-phosphono-6-propylsulfanyl-hexyl)phosphonic acid

Systemtic Name: (1-azanyl-1-phosphono-6-propylsulfanyl-hexyl)phosphonic acid Openeye Name: (1-amino-1-phosphono-6-propylsulfanyl-hexyl)phosphonic acid CAS Name: [1-amino-1-phosphono-6-(propylthio)hexyl]phosphonic acid IUPAC Name: (1-amino-1-phosphono-6-propylsulfanylhexyl)phosphonic acid Traditional Name: [1-amino-1-phosphono-6-(propylthio)hexyl]phosphonic acid Formula: C9H23NO6P2S MolecularWeight: 335.294542

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Descriptors Computed from Structure

Canonical SMILES:

CCCSCCCCCC(N)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCCSCCCCCC(N)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C9H23NO6P2S/c1-2-7-19-8-5-3-4-6-9(10,17(11,12)13)18(14,15)16/h2-8,10H2,1H3,(H2,11,12,13)(H2,14,15,16)