[(2R,3S)-5-oxidanylidene-2-tridecyl-oxolan-3-yl] benzoate

Systemtic Name: [(2R,3S)-5-oxidanylidene-2-tridecyl-oxolan-3-yl] benzoate Openeye Name: [(2R,3S)-5-oxo-2-tridecyl-tetrahydrofuran-3-yl] benzoate CAS Name: benzoic acid [(2R,3S)-5-oxo-2-tridecyl-3-oxolanyl] ester IUPAC Name: [(2R,3S)-5-oxo-2-tridecyloxolan-3-yl] benzoate Traditional Name: benzoic acid [(2R,3S)-5-keto-2-tridecyl-tetrahydrofuran-3-yl] ester Formula: C24H36O4 MolecularWeight: 388.54024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1C(CC(=O)O1)OC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCC[C@@H]1[C@H](CC(=O)O1)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C24H36O4/c1-2-3-4-5-6-7-8-9-10-11-15-18-21-22(19-23(25)27-21)28-24(26)20-16-13-12-14-17-20/h12-14,16-17,21-22H,2-11,15,18-19H2,1H3/t21-,22+/m1/s1