1,5-Dihydroxy-4-nitro-2,6-dinonyl-8-(phenylsulfanyl)anthracene-9,10-dione

Base Information

• Chemical Name: 1,5-Dihydroxy-4-nitro-2,6-dinonyl-8-(phenylsulfanyl)anthracene-9,10-dione
• CAS No.: 84674-84-0
• Molecular Formula: C38H47NO6S
• DSSTox Substance ID: DTXSID20606982

Synonyms:84674-84-0;1,5-Dihydroxy-4-nitro-2,6-dinonyl-8-(phenylthio)anthracene-9,10-dione;SCHEMBL10610644;DTXSID20606982;1,5-DIHYDROXY-4-NITRO-2,6-DINONYL-8-(PHENYLSULFANYL)ANTHRACENE-9,10-DIONE

Chemical Property of 1,5-Dihydroxy-4-nitro-2,6-dinonyl-8-(phenylsulfanyl)anthracene-9,10-dione

Chemical Property:

• XLogP3: 14.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 18
• Exact Mass: 645.31240939
• Heavy Atom Count: 46
• Complexity: 950

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCC1=CC(=C2C(=C1O)C(=O)C3=C(C=C(C(=C3C2=O)O)CCCCCCCCC)SC4=CC=CC=C4)[N+](=O)[O-]

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