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Dodecane-1,12-diylbis(tributylphosphonium) bromide

Catalog Number ACM99372744-1
CAS 99372-74-4
Structure Dodecane-1,12-diylbis(tributylphosphonium) bromide
Synonyms 1,12-Dodecanediylbis(Tributylphosphonium) Dibromide; Tributyl(12-Tributylphosphaniumyldodecyl)Phosphanium dibromide
IUPAC Name tributyl(12-tributylphosphaniumyldodecyl)phosphanium;dibromide
Molecular Weight 732.76
Molecular Formula C36H78Br2P2
InChI ZQHJAOSIJREVKP-UHFFFAOYSA-L
InChI Key InChI=1S/C36H78P2.2BrH/c1-7-13-29-37(30-14-8-2,31-15-9-3)35-27-25-23-21-19-20-22-24-26-28-36-38(32-16-10-4,33-17-11-5)34-18-12-6;;/h7-36H2,1-6H3;2*1H/q+2;;/p-2
Purity 95%
Isomeric SMILES CCCC[P+](CCCC)(CCCC)CCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC.[Br-].[Br-]
Q&A

What is the IUPAC Name of the compound with CAS number 99372-74-4?

The IUPAC Name of the compound is "tributyl(12-tributylphosphaniumyldodecyl)phosphanium;dibromide."

What is the molecular formula of the compound Dodecane-1,12-diylbis(tributylphosphonium) bromide?

The molecular formula of the compound is C36H78Br2P2.

What is the exact mass of Dodecane-1,12-diylbis(tributylphosphonium) bromide?

The exact mass of the compound is 732.39250.

How many hydrogen bond acceptor counts are there in the computed properties of the compound?

There are 2 hydrogen bond acceptor counts.

How many heavy atoms are present in Dodecane-1,12-diylbis(tributylphosphonium) bromide?

There are 40 heavy atoms in the compound.

What is the Monoisotopic Mass of the compound Dodecane-1,12-diylbis(tributylphosphonium) bromide?

The Monoisotopic Mass is 730.39455.

What is the Canonical SMILES representation of the compound?

The Canonical SMILES representation is "CCCC[P+](CCCC)(CCCC)CCCCCCCCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC.[Br-].[Br-]"

How many computed properties covalently-bonded unit counts are there in the compound?

There are 3 computed properties covalently-bonded unit counts.

What is the InChIKey of Dodecane-1,12-diylbis(tributylphosphonium) bromide?

The InChIKey is "ZQHJAOSIJREVKP-UHFFFAOYSA-L".

What are some of the depositor-supplied synonyms for the compound with CAS number 99372-74-4?

Some of the depositor-supplied synonyms include "1,12-Dodecanediylbis(tributylphosphonium) dibromide" and "1,12-Bis(tributyl phosphonium)dodecane dibromide."

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