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CAS 1334177-85-3

:

Xanthylium, 9-[4-[[(14-carboxy-3,6,9,12-tetraoxatetradec-1-yl)amino]sulfonyl]-2-sulfophenyl]-3,6-bis(diethylamino)-, chloride (1:1)

Description:
Xanthylium, 9-[4-[[(14-carboxy-3,6,9,12-tetraoxatetradec-1-yl)amino]sulfonyl]-2-sulfophenyl]-3,6-bis(diethylamino)-, chloride (1:1) is a synthetic organic compound characterized by its complex structure, which includes a xanthylium core, multiple functional groups, and a chloride counterion. The presence of sulfonyl and sulfophenyl groups suggests it has significant solubility in polar solvents, making it useful in various applications, including as a dye or indicator in biochemical assays. The diethylamino groups contribute to its basicity and potential for protonation, influencing its behavior in different pH environments. The carboxylic acid moiety indicates potential for forming salts or participating in esterification reactions. Overall, this compound's unique structural features and functional groups suggest it may exhibit interesting optical properties and reactivity, making it a candidate for research in fields such as materials science, biochemistry, and analytical chemistry. However, specific applications and behavior would depend on experimental conditions and the presence of other reagents.
Formula:C38H52N3O12S2·Cl
InChI:InChI=1S/C38H51N3O12S2.ClH/c1-5-40(6-2)28-9-12-31-34(25-28)53-35-26-29(41(7-3)8-4)10-13-32(35)38(31)33-14-11-30(27-36(33)55(46,47)48)54(44,45)39-16-18-50-20-22-52-24-23-51-21-19-49-17-15-37(42)43;/h9-14,25-27,39H,5-8,15-24H2,1-4H3,(H-,42,43,46,47,48);1H
InChI key:InChIKey=NOHINLONKPIZDS-UHFFFAOYSA-N
SMILES:S(=O)(=O)(O)C1=C(C=2C3=C([O+]=C4C2C=CC(N(CC)CC)=C4)C=C(N(CC)CC)C=C3)C=CC(S(NCCOCCOCCOCCOCCC(O)=O)(=O)=O)=C1.[Cl-]
Synonyms:
  • Xanthylium, 9-[4-[[(14-carboxy-3,6,9,12-tetraoxatetradec-1-yl)amino]sulfonyl]-2-sulfophenyl]-3,6-bis(diethylamino)-, chloride (1:1)
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