trisodium;[(E)-1-[(28E)-30-oxo-14,16-disulfonatooxy-1-oxacyclotriacont-28-en-2-yl]undec-9-en-2-yl] sulfate

Base Information

• Chemical Name: trisodium;[(E)-1-[(28E)-30-oxo-14,16-disulfonatooxy-1-oxacyclotriacont-28-en-2-yl]undec-9-en-2-yl] sulfate
• CAS No.: 121313-79-9
• Molecular Formula: C40H74 O14 S3 . 3 Na
• Molecular Weight: 944.17147
• Mol file: 121313-79-9.mol

Synonyms:(2-sulfonate-9-undecenyl)oxacyclotriacont-3-ene-2-one-16,18-disulfonate;M-GTF1

Chemical Property of trisodium;[(E)-1-[(28E)-30-oxo-14,16-disulfonatooxy-1-oxacyclotriacont-28-en-2-yl]undec-9-en-2-yl] sulfate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 250.73000
• Density: g/cm³
• LogP: 12.52570
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 12
• Exact Mass: 940.36990330
• Heavy Atom Count: 60
• Complexity: 1360

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=CCCCCCCC(CC1CCCCCCCCCCCC(CC(CCCCCCCCCCCC=CC(=O)O1)OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-].[Na+].[Na+].[Na+]
• Isomeric SMILES: C/C=C/CCCCCCC(CC1CCCCCCCCCCCC(CC(CCCCCCCCCCC/C=C/C(=O)O1)OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-].[Na+].[Na+].[Na+]