Disodium 5-(4-aminobenzamido)-2-(2-(4-(4-(4-aminobenzamido)benzamido)-2-sulphonatophenyl)vinyl)benzenesulphonate

Base Information

• Chemical Name: Disodium 5-(4-aminobenzamido)-2-(2-(4-(4-(4-aminobenzamido)benzamido)-2-sulphonatophenyl)vinyl)benzenesulphonate
• CAS No.: 6409-90-1
• Molecular Formula: C35H29 N5 O9 S2 . 2 Na
• Molecular Weight: 727.7629
• Mol file: 6409-90-1.mol

Synonyms:NSC 326209;disodium;2-[(E)-2-[4-[[4-[(4-aminobenzoyl)amino]benzoyl]amino]-2-sulfonatophenyl]ethenyl]-5-[(4-aminophenyl)carbamoyl]benzenesulfonate;EINECS 229-091-7;Disodium 5-(4-aminobenzamido)-2-(2-(4-(4-(4-aminobenzamido)benzamido)-2-sulphonatophenyl)vinyl)benzenesulphonate;SCHEMBL2859095

Chemical Property of Disodium 5-(4-aminobenzamido)-2-(2-(4-(4-(4-aminobenzamido)benzamido)-2-sulphonatophenyl)vinyl)benzenesulphonate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 264.84000
• Density: 1.584g/cm³
• LogP: 8.81470
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 8
• Exact Mass: 771.10455837
• Heavy Atom Count: 53
• Complexity: 1430

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)C(=O)NC5=CC=C(C=C5)N)S(=O)(=O)[O-])S(=O)(=O)[O-])N.[Na+].[Na+]
• Isomeric SMILES: C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)C(=O)NC5=CC=C(C=C5)N)S(=O)(=O)[O-])S(=O)(=O)[O-])N.[Na+].[Na+]