[6-[[2-chloroethyl(nitroso)carbamoyl]amino]-1-oxidanyl-1-phosphono-hexyl]phosphonic acid

Systemtic Name: [6-[[2-chloroethyl(nitroso)carbamoyl]amino]-1-oxidanyl-1-phosphono-hexyl]phosphonic acid Openeye Name: [6-[[2-chloroethyl(nitroso)carbamoyl]amino]-1-hydroxy-1-phosphono-hexyl]phosphonic acid CAS Name: [6-[[[2-chloroethyl(nitroso)amino]-oxomethyl]amino]-1-hydroxy-1-phosphonohexyl]phosphonic acid IUPAC Name: [6-[[2-chloroethyl(nitroso)carbamoyl]amino]-1-hydroxy-1-phosphonohexyl]phosphonic acid Traditional Name: [6-[[2-chloroethyl(nitroso)carbamoyl]amino]-1-hydroxy-1-phosphono-hexyl]phosphonic acid Formula: C9H20ClN3O9P2 MolecularWeight: 411.670322

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Descriptors Computed from Structure

Canonical SMILES:

C(CCC(O)(P(=O)(O)O)P(=O)(O)O)CCNC(=O)N(CCCl)N=O

Isomeric SMILES

C(CCC(O)(P(=O)(O)O)P(=O)(O)O)CCNC(=O)N(CCCl)N=O

InChI

InChI=1S/C9H20ClN3O9P2/c10-5-7-13(12-16)8(14)11-6-3-1-2-4-9(15,23(17,18)19)24(20,21)22/h15H,1-7H2,(H,11,14)(H2,17,18,19)(H2,20,21,22)