Indigotine P free acid

Base Information

• Chemical Name: Indigotine P free acid
• CAS No.: 25180-62-5
• Molecular Formula: C₁₆H₁₀N₂O₁₄S₄
• Molecular Weight: 582.524
• UNII: 8I454XLY0J
• Nikkaji Number: J1.126.671A
• Wikidata: Q27895938

Synonyms:indigo-5,5',7,7'-tetrasulfonic acid;indigotetrasulfonic acid;Indigotine P

Chemical Property of Indigotine P free acid

Chemical Property:

• XLogP3: -2.3
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 5
• Exact Mass: 581.90148769
• Heavy Atom Count: 36
• Complexity: 1400

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• Canonical SMILES: C1=C(C=C(C2=C1C(=C(N2)C3=NC4=C(C3=O)C=C(C=C4S(=O)(=O)O)S(=O)(=O)O)O)S(=O)(=O)O)S(=O)(=O)O

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