Name: Procion Blue HB
Rating: 5 (10 reviews)

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结构编辑

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HIT ID:HIT212672695
Cas No:12236-82-7
常用名:Procion Blue HB
别名:蓝色染料, Reactive Blue 2
IUPAC:1-amino-4-{[4-({4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl}amino)-3-sulfophenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid; 1-amino-4-{[4-({4-chloro-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl}amino)-3-sulfophenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid
IUPAC:1-amino-4-{[4-({4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl}amino)-3-sulfophenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid; 1-amino-4-{[4-({4-chloro-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl}amino)-3-sulfophenyl]amino}-9,10-dioxo-9,10-dihydroanthracene-2-sulfonic acid
InChI key:GHGCAPAWSQUOBN-UHFFFAOYSA-N

分子式:C58H40Cl2N14O22S6
分子量:1548.29
氢键供体数 (HBD):7
氢键受体数 (HBA):18
LogP:-1.0826225
SMILES:Nc1c(cc(Nc2ccc(Nc3nc(Cl)nc(Nc4ccc(cc4)S(O)(=O)=O)n3)c(c2)S(O)(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S(O)(=O)=O.Nc1c(cc(Nc2ccc(Nc3nc(Cl)nc(Nc4cccc(c4)S(O)(=O)=O)n3)c(c2)S(O)(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S(O)(=O)=O
SMILES:Nc1c(cc(Nc2ccc(Nc3nc(Cl)nc(Nc4ccc(cc4)S(O)(=O)=O)n3)c(c2)S(O)(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S(O)(=O)=O.Nc1c(cc(Nc2ccc(Nc3nc(Cl)nc(Nc4cccc(c4)S(O)(=O)=O)n3)c(c2)S(O)(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S(O)(=O)=O

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