Trisodium 5-((3-carboxylato-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)(2,6-dichlorophenyl)methyl)-2-oxido-3-methylbenzoate

Base Information

• Chemical Name: Trisodium 5-((3-carboxylato-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)(2,6-dichlorophenyl)methyl)-2-oxido-3-methylbenzoate
• CAS No.: 28546-93-2
• Molecular Formula: C23H16 Cl2 O6 . 3 Na
• Molecular Weight: 525.221
• European Community (EC) Number: 249-076-9
• Nikkaji Number: J250.735H

Synonyms:EINECS 249-076-9;28546-93-2;Benzoic acid, 5-((3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)(2,6-dichlorophenyl)methyl)-2-hydroxy-3-methyl-, trisodium salt;Trisodium 5-((3-carboxylato-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)(2,6-dichlorophenyl)methyl)-2-oxido-3-methylbenzoate;Trisodium 5-[(3-carboxylato-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)(2,6-dichlorophenyl)methyl]-2-oxido-3-methylbenzoate;C23H16Cl2O6.3Na;C23-H16-Cl2-O6.3Na;5-[(3-Sodiooxycarbonyl-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)(2,6-dichlorophenyl)methyl]-2-sodiooxy-3-methylbenzoic acid sodium salt;Benzoic acid, 5-[(3-carboxy-5-methyl-4- oxo-2,5-cyclohexadien-1-ylidene)(2,6-dichlorophenyl )methyl]-2-hydroxy-3-methyl-, trisodium salt;Benzoic acid, 5-[(3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)(2,6-dichlorophenyl)methyl]-2-hydroxy-3-methyl-,trisodium salt

Chemical Property of Trisodium 5-((3-carboxylato-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)(2,6-dichlorophenyl)methyl)-2-oxido-3-methylbenzoate

Chemical Property:

• Vapor Pressure: 1.37E-19mmHg at 25°C
• Boiling Point: 683°C at 760 mmHg
• Flash Point: 366.9°C
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 523.9782264
• Heavy Atom Count: 34
• Complexity: 799

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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• Canonical SMILES: CC1=CC(=CC(=C1[O-])C(=O)[O-])C(=C2C=C(C(=O)C(=C2)C(=O)[O-])C)C3=C(C=CC=C3Cl)Cl.[Na+].[Na+].[Na+]
• Isomeric SMILES: CC1=CC(=CC(=C1[O-])C(=O)[O-])/C(=C/2\C=C(C(=O)C(=C2)C(=O)[O-])C)/C3=C(C=CC=C3Cl)Cl.[Na+].[Na+].[Na+]

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