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

Systemtic Name: (1-phosphono-4-sulfanyl-butyl)phosphonic acid Openeye Name: (1-phosphono-4-sulfanyl-butyl)phosphonic acid CAS Name: (4-mercapto-1-phosphonobutyl)phosphonic acid IUPAC Name: (1-phosphono-4-sulfanylbutyl)phosphonic acid Traditional Name: (4-mercapto-1-phosphono-butyl)phosphonic acid Formula: C4H12O6P2S MolecularWeight: 250.147002

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(P(=O)(O)O)P(=O)(O)O)CS

Isomeric SMILES

C(CC(P(=O)(O)O)P(=O)(O)O)CS

InChI

InChI=1S/C4H12O6P2S/c5-11(6,7)4(2-1-3-13)12(8,9)10/h4,13H,1-3H2,(H2,5,6,7)(H2,8,9,10)