Benzenesulfonic acid, 4-((2-((2,5-dimethoxy-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-1,3-dioxobutyl)amino)-5-methoxy-2-methyl-

Base Information

• Chemical Name: Benzenesulfonic acid, 4-((2-((2,5-dimethoxy-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-1,3-dioxobutyl)amino)-5-methoxy-2-methyl-
• CAS No.: 82391-15-9
• Molecular Formula: C22H27 N3 O14 S3
• Molecular Weight: 653.67
• European Community (EC) Number: 680-635-3
• DSSTox Substance ID: DTXSID70869202
• Nikkaji Number: J365.454K
• Mol file: 82391-15-9.mol

Synonyms:82391-15-9;Benzenesulfonic acid, 4-((2-((2,5-dimethoxy-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-1,3-dioxobutyl)amino)-5-methoxy-2-methyl-;Benzenesulfonic acid, 4-((2-(2-(2,5-dimethoxy-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl)-1,3-dioxobutyl)amino)-5-methoxy-2-methyl-;C22H27N3O14S3.xNa;Benzenesulfonic acid, 4-[[2-[[2,5-dimethoxy-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-1,3-dioxobutyl]amino]-5-methoxy-2-methyl-;C22-H27-N3-O14-S3.x-Na;Benzenesulfonic acid, 4-[[2-[[2,5-dimethoxy-4-[ [2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-1,3-dioxobutyl ]amino]-5-methoxy-2-methyl-, sodium salt;SCHEMBL12173096;DTXSID70869202;C22H27N3O14S3;C22-H27-N3-O14-S3;4-[[2-[[2,5-Dimethoxy-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-1,3-dioxobutyl]amino]-5-methoxy-2-methylbenzenesulfonic acid;4-[[2-[2-[2,5-Dimethoxy-4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]diazenyl]-1,3-dioxobutyl]amino]-5-methoxy-2-methylbenzenesulfonic acid

Chemical Property of Benzenesulfonic acid, 4-((2-((2,5-dimethoxy-4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-1,3-dioxobutyl)amino)-5-methoxy-2-methyl-

Chemical Property:

• PSA: 275.83000
• LogP: 4.85600
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 14
• Exact Mass: 653.06551606
• Heavy Atom Count: 42
• Complexity: 1290

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1S(=O)(=O)O)OC)NC(=O)C(C(=O)C)N=NC2=CC(=C(C=C2OC)S(=O)(=O)CCOS(=O)(=O)O)OC

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