3-(decyloxy)-1-(2,2-diphosphonoethyl)pyridinium (Q27458256)

3-(Decyloxy)-1-(2,2-Diphosphonoethyl)pyridinium (English)

19 October 2016

chemical formula

C₁₇H₃₂NO₇P₂⁺

1 reference

based on heuristic

inferred from SMILES

canonical SMILES

CCCCCCCCCCOC1=C[N+](=CC=C1)CC(P(=O)(O)O)P(=O)(O)O

1 reference

3-(Decyloxy)-1-(2,2-Diphosphonoethyl)pyridinium (English)

InChI=1S/C17H31NO7P2/c1-2-3-4-5-6-7-8-9-13-25-16-11-10-12-18(14-16)15-17(26(19,20)21)27(22,23)24/h10-12,14,17H,2-9,13,15H2,1H3,(H3-,19,20,21,22,23,24)/p+1

19 October 2016

Identifiers

InChI

1 reference

3-(Decyloxy)-1-(2,2-Diphosphonoethyl)pyridinium (English)

QYJHUOZDBUEKQC-UHFFFAOYSA-O

19 October 2016

InChIKey

1 reference

3-(Decyloxy)-1-(2,2-Diphosphonoethyl)pyridinium (English)

19 October 2016

2 references

3-(Decyloxy)-1-(2,2-Diphosphonoethyl)pyridinium (English)

matched by identifier from

19 October 2016

InChIKey

QYJHUOZDBUEKQC-UHFFFAOYSA-O

1 reference

0 references

1 reference

2ZEV (English)

19 October 2016

1 reference

2ZEU (English)