(2-butyl-1-oxidanyl-1-phosphono-octyl)phosphonic acid hydrochloride

Systemtic Name: (2-butyl-1-oxidanyl-1-phosphono-octyl)phosphonic acid hydrochloride Openeye Name: (2-butyl-1-hydroxy-1-phosphono-octyl)phosphonic acid hydrochloride CAS Name: (2-butyl-1-hydroxy-1-phosphonooctyl)phosphonic acid hydrochloride IUPAC Name: (2-butyl-1-hydroxy-1-phosphonooctyl)phosphonic acid hydrochloride Traditional Name: (2-butyl-1-hydroxy-1-phosphono-octyl)phosphonic acid hydrochloride Formula: C12H29ClO7P2 MolecularWeight: 382.754982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCC)C(O)(P(=O)(O)O)P(=O)(O)O.Cl

Isomeric SMILES

CCCCCCC(CCCC)C(O)(P(=O)(O)O)P(=O)(O)O.Cl

InChI

InChI=1S/C12H28O7P2.ClH/c1-3-5-7-8-10-11(9-6-4-2)12(13,20(14,15)16)21(17,18)19;/h11,13H,3-10H2,1-2H3,(H2,14,15,16)(H2,17,18,19);1H