(5-chloranyl-4-methyl-4-oxidanyl-1-phosphono-pentyl)phosphonic acid

Systemtic Name: (5-chloranyl-4-methyl-4-oxidanyl-1-phosphono-pentyl)phosphonic acid Openeye Name: (5-chloro-4-hydroxy-4-methyl-1-phosphono-pentyl)phosphonic acid CAS Name: (5-chloro-4-hydroxy-4-methyl-1-phosphonopentyl)phosphonic acid IUPAC Name: (5-chloro-4-hydroxy-4-methyl-1-phosphonopentyl)phosphonic acid Traditional Name: (5-chloro-4-hydroxy-4-methyl-1-phosphono-pentyl)phosphonic acid Formula: C6H15ClO7P2 MolecularWeight: 296.579622

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(P(=O)(O)O)P(=O)(O)O)(CCl)O

Isomeric SMILES

CC(CCC(P(=O)(O)O)P(=O)(O)O)(CCl)O

InChI

InChI=1S/C6H15ClO7P2/c1-6(8,4-7)3-2-5(15(9,10)11)16(12,13)14/h5,8H,2-4H2,1H3,(H2,9,10,11)(H2,12,13,14)