2-[2-[2-[1-(Carboxymethoxy)-4-chloronaphthalene-2-carbonyl]-2,5-diethyl-3,4-dihydropyran-6-yl]-4-chloronaphthalen-1-yl]oxyacetic acid
Basic information
- CAS
23870-53-3- Standard SMILES
CCC1=C(c2cc(Cl)c3ccccc3c2OCC(=O)O)OC(CC)(C(=O)c2cc(Cl)c3ccccc3c2OCC(=O)O)CC1- InChIKey
ZFEXNHYQHDJAGL-UHFFFAOYSA-N- Molecular formula
- C34H30Cl2O8
- Average molar mass
- 637.5 g/mol
- Monoisotopic mass
- 636.1317733
Names & identifiers
- Preferred name
- 2-[2-[2-[1-(Carboxymethoxy)-4-chloronaphthalene-2-carbonyl]-2,5-diethyl-3,4-dihydropyran-6-yl]-4-chloronaphthalen-1-yl]oxyacetic acid
- IUPAC
- 2-[2-[2-[1-(carboxymethoxy)-4-chloronaphthalene-2-carbonyl]-2,5-diethyl-3,4-dihydropyran-6-yl]-4-chloronaphthalen-1-yl]oxyacetic acid
Names & synonyms
NSC8314323870-53-3DTXSID30329039NSC-83143L 598782-0-1Acetic acid,5-diethyl-3,4-dihydro-2H-pyran-2-yl)carbonyl]-4-chloro-1-naphthyl)oxy]-[(2-{2-[1-(Carboxymethoxy)-4-chloronaphthalene-2-carbonyl]-2,5-diethyl-3,4-dihydro-2H-pyran-6-yl}-4-chloronaphthalen-1-yl)oxy]acetic acid
Database identifiers
- CAS
23870-53-3- PubChem CID
- 416893
- DTXSID
DTXSID30329039
Properties
Computed structural properties
- XLogP
- 8.2
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 11
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,100
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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