[1,7-bis(chloranyl)-3,5-bis(2-chloroethyl)-4,4-bis(hydroxymethyl)-5-oxidanyl-heptan-3-yl] phosphono hydrogen phosphate

Systemtic Name: [1,7-bis(chloranyl)-3,5-bis(2-chloroethyl)-4,4-bis(hydroxymethyl)-5-oxidanyl-heptan-3-yl] phosphono hydrogen phosphate Openeye Name: [5-chloro-1,1,3-tris(2-chloroethyl)-3-hydroxy-2,2-bis(hydroxymethyl)pentyl] phosphono hydrogen phosphate CAS Name: [1,7-dichloro-3,5-bis(2-chloroethyl)-5-hydroxy-4,4-bis(hydroxymethyl)heptan-3-yl] phosphono hydrogen phosphate IUPAC Name: [1,7-dichloro-3,5-bis(2-chloroethyl)-5-hydroxy-4,4-bis(hydroxymethyl)heptan-3-yl] phosphono hydrogen phosphate Traditional Name: [5-chloro-1,1,3-tris(2-chloroethyl)-3-hydroxy-2,2-dimethylol-pentyl] phosphono hydrogen phosphate Formula: C13H26Cl4O10P2 MolecularWeight: 546.099062

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Descriptors Computed from Structure

Canonical SMILES:

C(CCl)C(CCCl)(C(CO)(CO)C(CCCl)(CCCl)OP(=O)(O)OP(=O)(O)O)O

Isomeric SMILES

C(CCl)C(CCCl)(C(CO)(CO)C(CCCl)(CCCl)OP(=O)(O)OP(=O)(O)O)O

InChI

InChI=1S/C13H26Cl4O10P2/c14-5-1-12(20,2-6-15)11(9-18,10-19)13(3-7-16,4-8-17)26-29(24,25)27-28(21,22)23/h18-20H,1-10H2,(H,24,25)(H2,21,22,23)