2-Dodecyl-5-(2-sulfophenoxy)benzenesulfonic acid;ethyl-[6-(ethylamino)-9-(2-methoxycarbonylphenyl)-2,7-dimethylxanthen-3-ylidene]azanium

Base Information

• Chemical Name: 2-Dodecyl-5-(2-sulfophenoxy)benzenesulfonic acid;ethyl-[6-(ethylamino)-9-(2-methoxycarbonylphenyl)-2,7-dimethylxanthen-3-ylidene]azanium
• CAS No.: 108512-51-2
• Molecular Formula: C78H92N4O13S2
• Molecular Weight: 1357.713
• Mol file: 108512-51-2.mol

Synonyms:108512-51-2;2-dodecyl-5-(2-sulfophenoxy)benzenesulfonic acid;ethyl-[6-(ethylamino)-9-(2-methoxycarbonylphenyl)-2,7-dimethylxanthen-3-ylidene]azanium;Xanthylium, 3,6-bis(ethylamino)-9-(2-(methoxycarbonyl)phenyl)-2,7-dimethyl-, 2(or 5)-dodecyl-5(or 2)-(sulfophenoxy)benzenesulfonate (2:1)

Chemical Property of 2-Dodecyl-5-(2-sulfophenoxy)benzenesulfonic acid;ethyl-[6-(ethylamino)-9-(2-methoxycarbonylphenyl)-2,7-dimethylxanthen-3-ylidene]azanium

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 270.13000
• Density: g/cm³
• LogP: 19.48660
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 27
• Exact Mass: 1356.61023135
• Heavy Atom Count: 97
• Complexity: 1550

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCC1=C(C=C(C=C1)OC2=CC=CC=C2S(=O)(=O)O)S(=O)(=O)O.CCNC1=CC2=C(C=C1C)C(=C3C=C(C(=[NH+]CC)C=C3O2)C)C4=CC=CC=C4C(=O)OC.CCNC1=CC2=C(C=C1C)C(=C3C=C(C(=[NH+]CC)C=C3O2)C)C4=CC=CC=C4C(=O)OC