4,5-Dichloro-2-({3-chloro-2,4-dihydroxy-5-[4-(methoxycarbonyl)butyl]phenyl}carbonyl)benzoic Acid

HCID 57712934
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Basic information

Standard SMILES
COC(=O)CCCCc1cc(C(=O)c2cc(Cl)c(Cl)cc2C(=O)O)c(O)c(Cl)c1O
InChIKey
DPIISQNLGILMLC-UHFFFAOYSA-N
Molecular formula
C20H17Cl3O7
Average molar mass
475.7 g/mol

Names & identifiers

Preferred name
4,5-Dichloro-2-({3-chloro-2,4-dihydroxy-5-[4-(methoxycarbonyl)butyl]phenyl}carbonyl)benzoic Acid
IUPAC
4,5-dichloro-2-[3-chloro-2,4-dihydroxy-5-(5-methoxy-5-oxopentyl)benzoyl]benzoic acid

Names & synonyms

SCHEMBL4422459DPIISQNLGILMLC-UHFFFAOYSA-N4,5-Dichloro-2-({3-chloro-2,4-dihydroxy-5-[4-(methoxycarbonyl)butyl]phenyl}carbonyl)benzoic Acid

Database identifiers

PubChem CID
57712934

Properties

Computed structural properties

XLogP
5.5
Topological polar surface area
121 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
7
Rotatable bonds
9
Heavy atoms
30

Related reactions

2 records
New reaction record

Linked notes

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