(1-butylsulfanyl-1-phosphono-ethyl)phosphonic acid

Systemtic Name: (1-butylsulfanyl-1-phosphono-ethyl)phosphonic acid Openeye Name: (1-butylsulfanyl-1-phosphono-ethyl)phosphonic acid CAS Name: [1-(butylthio)-1-phosphonoethyl]phosphonic acid IUPAC Name: (1-butylsulfanyl-1-phosphonoethyl)phosphonic acid Traditional Name: [1-(butylthio)-1-phosphono-ethyl]phosphonic acid Formula: C6H16O6P2S MolecularWeight: 278.200162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC(C)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCCCSC(C)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C6H16O6P2S/c1-3-4-5-15-6(2,13(7,8)9)14(10,11)12/h3-5H2,1-2H3,(H2,7,8,9)(H2,10,11,12)