[4,5-bis(azanyl)-4-ethyl-6-phosphono-3-sulfanyl-hexan-3-yl]phosphonic acid

Systemtic Name: [4,5-bis(azanyl)-4-ethyl-6-phosphono-3-sulfanyl-hexan-3-yl]phosphonic acid Openeye Name: (2,3-diamino-1,2-diethyl-4-phosphono-1-sulfanyl-butyl)phosphonic acid CAS Name: (4,5-diamino-4-ethyl-3-mercapto-6-phosphonohexan-3-yl)phosphonic acid IUPAC Name: (4,5-diamino-4-ethyl-6-phosphono-3-sulfanylhexan-3-yl)phosphonic acid Traditional Name: (2,3-diamino-1,2-diethyl-1-mercapto-4-phosphono-butyl)phosphonic acid Formula: C8H22N2O6P2S MolecularWeight: 336.282602

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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)