Cyclooctadiene-(2-pyridinalisopropylimine)rhodamine I

Catalog Number	ACM98716315
CAS	98716-31-5
Synonyms	((1,2,5,6-Eta)-1,5-cyclooctadiene)(N-(2-pyridinylmethylene)-2-propanamine-N,N')rhodium(1+) chloride
Molecular Weight	394.7
Molecular Formula	C17H24ClN2Rh
Canonical SMILES	CC(C)N=CC1=CC=CC=N1.C1CC=CCCC=C1.[Cl-].[Rh]
InChI	InChI=1S/C9H12N2.C8H12.ClH.Rh/c1-8(2)11-7-9-5-3-4-6-10-9;1-2-4-6-8-7-5-3-1;/h3-8H,1-2H3;1-2,7-8H,3-6H2;1H;/p-1/b;2-1-,8-7-;
InChI Key	UKQIUZGQHYJUIK-ONEVTFJLSA-M
Purity	98%
Complexity	202
Covalently-Bonded Unit Count	4
Defined Atom Stereocenter Count	0
Exact Mass	394.0683
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isomeric SMILES	CC(N=CC1=CC=CC=N1)C.C1/C=C\CC/C=C\C1.[Cl-].[Rh]
Monoisotopic Mass	394.0683
Rotatable Bond Count	2
Topological Polar Surface Area	25.2 Ų