[bis(chloranyl)-phosphono-methyl]phosphonic acid; N,N-dibutylbutan-1-amine

Systemtic Name: [bis(chloranyl)-phosphono-methyl]phosphonic acid; N,N-dibutylbutan-1-amine Openeye Name: N,N-dibutylbutan-1-amine; [dichloro(phosphono)methyl]phosphonic acid CAS Name: N,N-dibutyl-1-butanamine; [dichloro(phosphono)methyl]phosphonic acid IUPAC Name: N,N-dibutylbutan-1-amine; [dichloro(phosphono)methyl]phosphonic acid Traditional Name: [dichloro(phosphono)methyl]phosphonic acid; tributylamine Formula: C13H31Cl2NO6P2 MolecularWeight: 430.241862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H27N.CH4Cl2O6P2/c1-4-7-10-13(11-8-5-2)12-9-6-3;2-1(3,10(4,5)6)11(7,8)9/h4-12H2,1-3H3;(H2,4,5,6)(H2,7,8,9)