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

Systemtic Name: [1-phosphono-2-(2-sulfanylethylamino)ethyl]phosphonic acid Openeye Name: [1-phosphono-2-(2-sulfanylethylamino)ethyl]phosphonic acid CAS Name: [2-(2-mercaptoethylamino)-1-phosphonoethyl]phosphonic acid IUPAC Name: [1-phosphono-2-(2-sulfanylethylamino)ethyl]phosphonic acid Traditional Name: [2-(2-mercaptoethylamino)-1-phosphono-ethyl]phosphonic acid Formula: C4H13NO6P2S MolecularWeight: 265.161642

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Descriptors Computed from Structure

Canonical SMILES:

C(CS)NCC(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

C(CS)NCC(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C4H13NO6P2S/c6-12(7,8)4(13(9,10)11)3-5-1-2-14/h4-5,14H,1-3H2,(H2,6,7,8)(H2,9,10,11)