ethyl 3-octadecanoyl-4-oxidanyl-benzoate

Systemtic Name: ethyl 3-octadecanoyl-4-oxidanyl-benzoate Openeye Name: ethyl 4-hydroxy-3-octadecanoyl-benzoate CAS Name: 4-hydroxy-3-(1-oxooctadecyl)benzoic acid ethyl ester IUPAC Name: ethyl 4-hydroxy-3-octadecanoylbenzoate Traditional Name: 4-hydroxy-3-stearoyl-benzoic acid ethyl ester Formula: C27H44O4 MolecularWeight: 432.63586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C1=C(C=CC(=C1)C(=O)OCC)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C1=C(C=CC(=C1)C(=O)OCC)O

InChI

InChI=1S/C27H44O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)24-22-23(20-21-26(24)29)27(30)31-4-2/h20-22,29H,3-19H2,1-2H3