[2-(butylamino)-1-phosphono-2-sulfanylidene-ethyl]phosphonic acid

Systemtic Name: [2-(butylamino)-1-phosphono-2-sulfanylidene-ethyl]phosphonic acid Openeye Name: [2-(butylamino)-1-phosphono-2-thioxo-ethyl]phosphonic acid CAS Name: [2-(butylamino)-1-phosphono-2-sulfanylideneethyl]phosphonic acid IUPAC Name: [2-(butylamino)-1-phosphono-2-sulfanylideneethyl]phosphonic acid Traditional Name: [2-(butylamino)-1-phosphono-2-thioxo-ethyl]phosphonic acid Formula: C6H15NO6P2S MolecularWeight: 291.198922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)C(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCCCNC(=S)C(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C6H15NO6P2S/c1-2-3-4-7-5(16)6(14(8,9)10)15(11,12)13/h6H,2-4H2,1H3,(H,7,16)(H2,8,9,10)(H2,11,12,13)