(2-ethylsulfanyl-3-methyl-7-phosphono-5,6-dihydro-4H-1,3-diazepin-7-yl)phosphonic acid

Systemtic Name: (2-ethylsulfanyl-3-methyl-7-phosphono-5,6-dihydro-4H-1,3-diazepin-7-yl)phosphonic acid Openeye Name: (2-ethylsulfanyl-3-methyl-7-phosphono-5,6-dihydro-4H-1,3-diazepin-7-yl)phosphonic acid CAS Name: [2-(ethylthio)-3-methyl-7-phosphono-5,6-dihydro-4H-1,3-diazepin-7-yl]phosphonic acid IUPAC Name: (2-ethylsulfanyl-3-methyl-7-phosphono-5,6-dihydro-4H-1,3-diazepin-7-yl)phosphonic acid Traditional Name: [2-(ethylthio)-3-methyl-7-phosphono-5,6-dihydro-4H-1,3-diazepin-7-yl]phosphonic acid Formula: C8H18N2O6P2S MolecularWeight: 332.250842

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC(CCCN1C)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCSC1=NC(CCCN1C)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C8H18N2O6P2S/c1-3-19-7-9-8(17(11,12)13,18(14,15)16)5-4-6-10(7)2/h3-6H2,1-2H3,(H2,11,12,13)(H2,14,15,16)