3-{6-[2-(2-Ethoxycarbonyl-ethyl)-3-(3-ethoxycarbonyl-propoxy)-phenyl]-hexyloxy}-5-(4-methyl-thiophen-3-yl)-benzoic Acid
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Basic information
- Standard SMILES
CCOC(=O)CCCOc1cccc(CCCCCCOc2cc(C(=O)O)cc(-c3cscc3C)c2)c1CCC(=O)OCC- InChIKey
VZWLOTFMADZIRQ-UHFFFAOYSA-N- Molecular formula
- C35H44O8S
- Average molar mass
- 624.8 g/mol
Names & identifiers
- Preferred name
- 3-{6-[2-(2-Ethoxycarbonyl-ethyl)-3-(3-ethoxycarbonyl-propoxy)-phenyl]-hexyloxy}-5-(4-methyl-thiophen-3-yl)-benzoic Acid
- IUPAC
- 3-[6-[3-(4-ethoxy-4-oxobutoxy)-2-(3-ethoxy-3-oxopropyl)phenyl]hexoxy]-5-(4-methylthiophen-3-yl)benzoic acid
Names & synonyms
SCHEMBL2260581VZWLOTFMADZIRQ-UHFFFAOYSA-N3-{6-[2-(2-Ethoxycarbonyl-ethyl)-3-(3-ethoxycarbonyl-propoxy)-phenyl]-hexyloxy}-5-(4-methyl-thiophen-3-yl)-benzoic Acid
Database identifiers
- PubChem CID
- 67338232
Properties
Computed structural propertiesFilling in
- XLogP
- 7.8
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 22
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 853
Related reactions
7 records
Compound notes
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