4,5-bis(azanyl)-4-ethyl-3,6-diphosphono-hexane-3-thiolate

Systemtic Name: 4,5-bis(azanyl)-4-ethyl-3,6-diphosphono-hexane-3-thiolate Openeye Name: 4,5-diamino-4-ethyl-3,6-diphosphono-hexane-3-thiolate CAS Name: 4,5-diamino-4-ethyl-3,6-diphosphono-3-hexanethiolate IUPAC Name: 4,5-diamino-4-ethyl-3,6-diphosphonohexane-3-thiolate Traditional Name: 4,5-diamino-4-ethyl-3,6-diphosphono-hexane-3-thiolate Formula: C8H21N2O6P2S- MolecularWeight: 335.274662

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CP(=O)(O)O)N)(C(CC)(P(=O)(O)O)[S-])N

Isomeric SMILES

CCC(C(CP(=O)(O)O)N)(C(CC)(P(=O)(O)O)[S-])N

InChI

InChI=1S/C8H22N2O6P2S/c1-3-7(10,6(9)5-17(11,12)13)8(19,4-2)18(14,15)16/h6,19H,3-5,9-10H2,1-2H3,(H2,11,12,13)(H2,14,15,16)/p-1