Benzoxazolium, 5-phenyl-2-((5-phenyl-3-(3-sulfopropyl)-2(3H)-benzoxazolylidene)methyl)-3-(3-sulfopropyl)-, hydroxide, inner salt

Base Information

• Chemical Name: Benzoxazolium, 5-phenyl-2-((5-phenyl-3-(3-sulfopropyl)-2(3H)-benzoxazolylidene)methyl)-3-(3-sulfopropyl)-, hydroxide, inner salt
• CAS No.: 60507-44-0
• Deprecated CAS: 94393-22-3
• Molecular Formula: C33H30N2O8S2
• Molecular Weight: 646.74
• Mol file: 60507-44-0.mol

Synonyms:Benzoxazolium, 5-phenyl-2-((5-phenyl-3-(3-sulfopropyl)-2(3H)-benzoxazolylidene)methyl)-3-(3-sulfopropyl)-, hydroxide, inner salt

Chemical Property of Benzoxazolium, 5-phenyl-2-((5-phenyl-3-(3-sulfopropyl)-2(3H)-benzoxazolylidene)methyl)-3-(3-sulfopropyl)-, hydroxide, inner salt

Chemical Property:

• PSA: 202.74000
• LogP: 7.43020
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 10
• Exact Mass: 646.14435827
• Heavy Atom Count: 45
• Complexity: 1050

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=[N+]3CCCS(=O)(=O)[O-])CC4=[N+](C5=C(O4)C=CC(=C5)C6=CC=CC=C6)CCCS(=O)(=O)[O-]