Disodium;4-[[4-[benzyl(methyl)azaniumylidene]cyclohexa-2,5-dien-1-ylidene]-[4-[(4-sulfonatophenyl)methylamino]phenyl]methyl]-6-hydroxybenzene-1,3-disulfonate

Base Information

• Chemical Name: Disodium;4-[[4-[benzyl(methyl)azaniumylidene]cyclohexa-2,5-dien-1-ylidene]-[4-[(4-sulfonatophenyl)methylamino]phenyl]methyl]-6-hydroxybenzene-1,3-disulfonate
• CAS No.: 12777-77-4
• Molecular Formula: C34H30 N2 O10 S3 . 2 Na
• Molecular Weight: 766.76806
• DSSTox Substance ID: DTXSID80155663
• Mol file: 12777-77-4.mol

Synonyms:12777-77-4;disodium;4-[[4-[benzyl(methyl)azaniumylidene]cyclohexa-2,5-dien-1-ylidene]-[4-[(4-sulfonatophenyl)methylamino]phenyl]methyl]-6-hydroxybenzene-1,3-disulfonate;DTXSID80155663;Benzenemethanaminium, N-(4-((5-hydroxy-2,4-disulfophenyl)(4-(((4-sulfophenyl)methyl)amino)phenyl)methylene)-2,5-cyclohexadien-1-ylidene)-N-methyl-, inner salt, disodium salt

Chemical Property of Disodium;4-[[4-[benzyl(methyl)azaniumylidene]cyclohexa-2,5-dien-1-ylidene]-[4-[(4-sulfonatophenyl)methylamino]phenyl]methyl]-6-hydroxybenzene-1,3-disulfonate

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 232.01000
• Density: g/cm³
• LogP: 6.46460
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 7
• Exact Mass: 766.07014718
• Heavy Atom Count: 51
• Complexity: 1550

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+](=C1C=CC(=C(C2=CC=C(C=C2)NCC3=CC=C(C=C3)S(=O)(=O)[O-])C4=CC(=C(C=C4S(=O)(=O)[O-])S(=O)(=O)[O-])O)C=C1)CC5=CC=CC=C5.[Na+].[Na+]