[4-[[2-chloroethyl(nitroso)carbamoyl]amino]-1-oxidanyl-1-phosphono-pentyl]phosphonic acid

Systemtic Name: [4-[[2-chloroethyl(nitroso)carbamoyl]amino]-1-oxidanyl-1-phosphono-pentyl]phosphonic acid Openeye Name: [4-[[2-chloroethyl(nitroso)carbamoyl]amino]-1-hydroxy-1-phosphono-pentyl]phosphonic acid CAS Name: [4-[[[2-chloroethyl(nitroso)amino]-oxomethyl]amino]-1-hydroxy-1-phosphonopentyl]phosphonic acid IUPAC Name: [4-[[2-chloroethyl(nitroso)carbamoyl]amino]-1-hydroxy-1-phosphonopentyl]phosphonic acid Traditional Name: [4-[[2-chloroethyl(nitroso)carbamoyl]amino]-1-hydroxy-1-phosphono-pentyl]phosphonic acid Formula: C8H18ClN3O9P2 MolecularWeight: 397.643742

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(O)(P(=O)(O)O)P(=O)(O)O)NC(=O)N(CCCl)N=O

Isomeric SMILES

CC(CCC(O)(P(=O)(O)O)P(=O)(O)O)NC(=O)N(CCCl)N=O

InChI

InChI=1S/C8H18ClN3O9P2/c1-6(10-7(13)12(11-15)5-4-9)2-3-8(14,22(16,17)18)23(19,20)21/h6,14H,2-5H2,1H3,(H,10,13)(H2,16,17,18)(H2,19,20,21)