Tumidulin
(3-hydroxy-4-methoxycarbonyl-5-methylphenyl) 3,5-dichloro-2,4-dihydroxy-6-methylbenzoate
Also Known As: Tumidulin|Methyl 3,5-dichlorolecanorate|(3-hydroxy-4-methoxycarbonyl-5-methylphenyl) 3,5-dichloro-2,4-dihydroxy-6-methylbenzoate|3-Hydroxy-4-(methoxycarbonyl)-5-methylphenyl 3,5-dichloro-2,4-dihydroxy-6-methylbenzoate|(3-hydroxy-4-methoxycarbonyl-5-methylphenyl) 3,5-dichloro-2,|Benzoic acid, 3,5-dichloro-2,4-dihydroxy-6-methyl-, 3-hydroxy-4-(methoxycarbonyl)-5-methylphenyl ester|3-Hydroxy-4-(methoxycarbonyl)-5-methylphenyl 3,5-dichloro-2,4-dihydroxy-6-methylbenzoate #|.beta.-Resorcylic acid, 3,5-dichloro-6-methyl-, 4-ester with methyl 6-methyl-.beta.-resorcyl alcohol|.beta.-Resorcylic acid, 3,5-dichloro-6-methyl-, 4-ester with methyl 6-methyl-.beta.-resorcylate|.beta.-Resorcylic acid,5-dichloro-6-methyl-, 4-ester with methyl 6-methyl-.beta.-resorcylate|3,5-Dichloro-2,4-dihydroxy-6-methylbenzoic acid 3-hydroxy-4-(methoxycarbonyl)-5-methylphenyl ester|Benzoic acid,5-dichloro-2,4-dihydroxy-6-methyl-, 3-hydroxy-4-(methoxycarbonyl)-5-methylphenyl ester
| Molecular Formula | C17H14Cl2O7 |
|---|---|
| Molecular Weight | 400.01166 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.01166 |
| Monoisotopic Mass | 400.01166 |
| Heavy Atoms | 26 |
| Complexity | 531.0 |
Chemical Identifiers
| CAS Number | 4382-39-2 |
|---|---|
| SMILES | CC1=CC(=CC(=C1C(=O)OC)O)OC(=O)C2=C(C(=C(C(=C2O)Cl)O)Cl)C |
| InChIKey | CSRJYVIKHJFLSA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tumidulin (CAS 4382-39-2), with molecular formula C17H14Cl2O7 and molecular weight 400.01166 g/mol. IUPAC: (3-hydroxy-4-methoxycarbonyl-5-methylphenyl) 3,5-dichloro-2,4-dihydroxy-6-methylbenzoate.
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