(9-oxo-8-tetradecanoyloxy-10H-anthracen-1-yl) Tetradecanoate

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Basic information

CAS: 64817-77-2
Standard SMILES: CCCCCCCCCCCCCC(=O)Oc1cccc2c1C(=O)c1c(cccc1OC(=O)CCCCCCCCCCCCC)C2
InChIKey: UPLSCPIWUOYFQS-UHFFFAOYSA-N
Molecular formula: C42H62O5
Average molar mass: 646.9 g/mol
Monoisotopic mass: 646.45972507

Names & identifiers

Preferred name: (9-oxo-8-tetradecanoyloxy-10H-anthracen-1-yl) Tetradecanoate
IUPAC: (9-oxo-8-tetradecanoyloxy-10H-anthracen-1-yl) tetradecanoate

Names & synonyms

(9-oxo-8-tetradecanoyloxy-10H-anthracen-1-yl) Tetradecanoate64817-77-29-oxo-9,10-dihydroanthracene-1,8-diyl ditetradecanoateCHEMBL3277314DTXSID70215109

Database identifiers

CAS: 64817-77-2
PubChem CID: 186773
DTXSID: DTXSID70215109
ChEMBL: CHEMBL3277314

Properties

Computed structural properties

XLogP: 15.3
Topological polar surface area: 69.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 28
Heavy atoms: 47
Formal charge: 0
Complexity: 788

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Compound notes

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