Pigment yellow 128 | CAS 79953-85-8 | AnyMole

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HIT218848715

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HIT218848715

HIT ID:HIT218848715
Cas No:79953-85-8
常用名:Pigment yellow 128
IUPAC:4-chloro-3-(2-{1-[(5-chloro-4-{2-[2-(2-chloro-5-{[2-(4-chlorophenoxy)-5-(trifluoromethyl)phenyl]carbamoyl}phenyl)diazen-1-yl]-3-oxobutanamido}-2-methylphenyl)carbamoyl]-2-oxopropyl}diazen-1-yl)-N-[2-(4-chlorophenoxy)-5-(trifluoromethyl)phenyl]benzamide
IUPAC:4-chloro-3-(2-{1-[(5-chloro-4-{2-[2-(2-chloro-5-{[2-(4-chlorophenoxy)-5-(trifluoromethyl)phenyl]carbamoyl}phenyl)diazen-1-yl]-3-oxobutanamido}-2-methylphenyl)carbamoyl]-2-oxopropyl}diazen-1-yl)-N-[2-(4-chlorophenoxy)-5-(trifluoromethyl)phenyl]benzamide
InChI key:VOCMTGRPDQPZFA-UHFFFAOYSA-N

分子式:C55H37Cl5F6N8O8
分子量:1229.19
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(=O)C(N=Nc1cc(ccc1Cl)C(=O)Nc1cc(ccc1Oc1ccc(Cl)cc1)C(F)(F)F)C(=O)Nc1cc(Cl)c(NC(=O)C(N=Nc2cc(ccc2Cl)C(=O)Nc2cc(ccc2Oc2ccc(Cl)cc2)C(F)(F)F)C(C)=O)cc1C
SMILES:CC(=O)C(N=Nc1cc(ccc1Cl)C(=O)Nc1cc(ccc1Oc1ccc(Cl)cc1)C(F)(F)F)C(=O)Nc1cc(Cl)c(NC(=O)C(N=Nc2cc(ccc2Cl)C(=O)Nc2cc(ccc2Oc2ccc(Cl)cc2)C(F)(F)F)C(C)=O)cc1C

Pigment yellow 128 属于双偶氮次甲基类的固态荧光染料。

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