Tumidulin
Basic information
- CAS
4382-39-2- Standard SMILES
COC(=O)c1c(C)cc(OC(=O)c2c(C)c(Cl)c(O)c(Cl)c2O)cc1O- InChIKey
CSRJYVIKHJFLSA-UHFFFAOYSA-N- Molecular formula
- C17H14Cl2O7
- Average molar mass
- 401.2 g/mol
- Monoisotopic mass
- 400.0116582
Overview
Tumidulin is a carbonyl compound.
Names & identifiers
- Preferred name
- Tumidulin
- IUPAC
- (3-hydroxy-4-methoxycarbonyl-5-methylphenyl) 3,5-dichloro-2,4-dihydroxy-6-methylbenzoate
- English name
- 3,5-Dichloro-2,4-dihydroxy-6-methylbenzoic acid 3-hydroxy-4-(methoxycarbonyl)-5-methylphenyl ester
- Molecular formula
- C17H14Cl2O7
- Molecular weight
- 401.19
Names & synonyms
TumidulinMethyl 3,5-dichlorolecanorate4382-39-2TURNIDULIN(3-hydroxy-4-methoxycarbonyl-5-methylphenyl) 3,5-dichloro-2,4-dihydroxy-6-methylbenzoate3-Hydroxy-4-(methoxycarbonyl)-5-methylphenyl 3,5-dichloro-2,4-dihydroxy-6-methylbenzoateBenzoic acid, 3,5-dichloro-2,4-dihydroxy-6-methyl-, 3-hydroxy-4-(methoxycarbonyl)-5-methylphenyl esterSCHEMBL7947084DTXSID80311868CHEBI:144242CSRJYVIKHJFLSA-UHFFFAOYSA-NNSC246123
Show more names
CCG-231136NSC-2461233,5-Dichloro-2,4-dihydroxy-6-methylbenzoic acid 3-hydroxy-4-(methoxycarbonyl)-5-methylphenyl ester3-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,5-dichloro-6-methyl-, 4-ester with methyl 6-methyl-.beta.-resorcylateBenzoic acid,5-dichloro-2,4-dihydroxy-6-methyl-, 3-hydroxy-4-(methoxycarbonyl)-5-methylphenyl esterInChI=1/C17H14Cl2O7/c1-6-4-8(5-9(20)10(6)16(23)25-3)26-17(24)11-7(2)12(18)15(22)13(19)14(11)21/h4-5,20-22H,1-3H
Database identifiers
- CAS
4382-39-2- PubChem CID
- 317010
- DTXSID
DTXSID80311868- ChEBI
CHEBI:144242- Nikkaji
- J143.656B
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 531
Chemistry & industry
Additional notes
DefinitionChEBI: Tumidulin is a carbonyl compound.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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