Direct Black 75 free acid

Base Information

• Chemical Name: Direct Black 75 free acid
• CAS No.: 25254-99-3
• Molecular Formula: C50H32N8O17S5
• European Community (EC) Number: 607-663-0
• UNII: ZXN3088THC
• DSSTox Substance ID: DTXSID601098410
• Wikidata: Q27295933
• Mol file: 25254-99-3.mol

Synonyms:Direct Black 75 free acid;ZXN3088THC;C.i. direct Black 75 (free acid);25254-99-3;1,5-Naphthalenedisulfonic acid, 3-((4-((4-((1-hydroxy-7-((2-hydroxy-6-sulfo-1-naphthalenyl)azo)-3-sulfo-1-naphthalenyl)azo)-6-sulfo-1-naphthalenyl)azo)-1-naphthalenyl)azo)-;1,5-Naphthalenedisulfonic acid, 3-(2-(4-(2-(4-(2-(1-hydroxy-7-(2-(2-hydroxy-6-sulfo-1-naphthalenyl)diazenyl)-3-sulfo-2-naphthalenyl)diazenyl)-6-sulfo-1-naphthalenyl)diazenyl)-1-naphthalenyl)diazenyl)-;UNII-ZXN3088THC;DTXSID601098410;Q27295933;3-[2-[4-[2-[4-[2-[1-Hydroxy-7-[2-(2-hydroxy-6-sulfo-1-naphthalenyl)diazenyl]-3-sulfo-2-naphthalenyl]diazenyl]-6-sulfo-1-naphthalenyl]diazenyl]-1-naphthalenyl]diazenyl]-1,5-naphthalenedisulfonic acid

Chemical Property of Direct Black 75 free acid

Chemical Property:

• XLogP3: 8.3
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 25
• Rotatable Bond Count: 13
• Exact Mass: 1176.04889745
• Heavy Atom Count: 80
• Complexity: 2910

Purity/Quality:

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• Canonical SMILES: C1=CC=C2C(=C1)C(=CC=C2N=NC3=CC4=C(C=CC=C4S(=O)(=O)O)C(=C3)S(=O)(=O)O)N=NC5=C6C=CC(=CC6=C(C=C5)N=NC7=C(C=C8C=CC(=CC8=C7O)N=NC9=C(C=CC1=C9C=CC(=C1)S(=O)(=O)O)O)S(=O)(=O)O)S(=O)(=O)O

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