3-((1Z,2Z)-3-Carboxy-2-methyl-1-((5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-anthracenyl)methylene)-2-propen-1-yl)benzoic acid

Base Information

• Chemical Name: 3-((1Z,2Z)-3-Carboxy-2-methyl-1-((5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-anthracenyl)methylene)-2-propen-1-yl)benzoic acid
• CAS No.: 161914-56-3
• Molecular Formula: C31H32O4
• UNII: NGA55684FK
• Mol file: 161914-56-3.mol

Synonyms:NGA55684FK;BMS-188184;UNII-NGA55684FK;161914-56-3;3-((1Z,2Z)-3-Carboxy-2-methyl-1-((5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-anthracenyl)methylene)-2-propen-1-yl)benzoic acid;Benzoic acid, 3-((1Z,2Z)-3-carboxy-2-methyl-1-((5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-anthracenyl)methylene)-2-propen-1-yl)-;SCHEMBL6662336;PD160897

Chemical Property of 3-((1Z,2Z)-3-Carboxy-2-methyl-1-((5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-anthracenyl)methylene)-2-propen-1-yl)benzoic acid

Chemical Property:

• XLogP3: 8.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 468.23005950
• Heavy Atom Count: 35
• Complexity: 878

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC(=CC(=O)O)C(=CC1=CC2=CC3=C(C=C2C=C1)C(CCC3(C)C)(C)C)C4=CC(=CC=C4)C(=O)O
• Isomeric SMILES: C/C(=C/C(=O)O)/C(=C/C1=CC2=CC3=C(C=C2C=C1)C(CCC3(C)C)(C)C)/C4=CC(=CC=C4)C(=O)O

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