NAVIGATION


IR-792 PERCHLORATE

Catalog Number
ACM207399108
CAS Number
207399-10-8
Product Name
IR-792 PERCHLORATE
Structure
Category
Other Materials
IUPAC Name
2-[2-[3-[2-(3,3-dimethyl-1-propylindol-1-ium-2-yl)ethenyl]-2-phenylsulfanylcyclohex-2-en-1-ylidene]ethylidene]-3,3-dimethyl-1-propylindole;perchlorate
Molecular Weight
713.4g/mol
Molecular Formula
C42H49ClN2O4S
Canonical SMILES
CCCN1C2=CC=CC=C2C(C1=CC=C3CCCC(=C3SC4=CC=CC=C4)C=CC5=[N+](C6=CC=CC=C6C5(C)C)CCC)(C)C.[O-]Cl(=O)(=O)=O
InChI
InChI=1S/C42H49N2S.ClHO4/c1-7-29-43-36-23-14-12-21-34(36)41(3,4)38(43)27-25-31-17-16-18-32(40(31)45-33-19-10-9-11-20-33)26-28-39-42(5,6)35-22-13-15-24-37(35)44(39)30-8-2;2-1(3,4)5/h9-15,19-28H,7-8,16-18,29-30H2,1-6H3;(H,2,3,4,5)/q+1;/p-1
InChI Key
IJYUKSSLCNLVNM-UHFFFAOYSA-M
Purity
99%
Appearance
Gold to Green powder
Complexity
1220
Covalently-Bonded Unit Count
2
Exact Mass
712.310157g/mol
Formal Charge
0
Heavy Atom Count
50
Monoisotopic Mass
712.310157g/mol
Rotatable Bond Count
9
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