[(2R,3S)-1-[(2-methylpropan-2-yl)oxy]-2-oxidanyl-1-oxidanylidene-tetradecan-3-yl] benzoate

Systemtic Name: [(2R,3S)-1-[(2-methylpropan-2-yl)oxy]-2-oxidanyl-1-oxidanylidene-tetradecan-3-yl] benzoate Openeye Name: [(1S)-1-[(1R)-2-tert-butoxy-1-hydroxy-2-oxo-ethyl]dodecyl] benzoate CAS Name: benzoic acid [(2R,3S)-2-hydroxy-1-[(2-methylpropan-2-yl)oxy]-1-oxotetradecan-3-yl] ester IUPAC Name: [(2R,3S)-2-hydroxy-1-[(2-methylpropan-2-yl)oxy]-1-oxotetradecan-3-yl] benzoate Traditional Name: benzoic acid [(1S)-1-[(1R)-2-tert-butoxy-1-hydroxy-2-keto-ethyl]dodecyl] ester Formula: C25H40O5 MolecularWeight: 420.5821

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(C(C(=O)OC(C)(C)C)O)OC(=O)C1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCC[C@@H]([C@H](C(=O)OC(C)(C)C)O)OC(=O)C1=CC=CC=C1

InChI

InChI=1S/C25H40O5/c1-5-6-7-8-9-10-11-12-16-19-21(22(26)24(28)30-25(2,3)4)29-23(27)20-17-14-13-15-18-20/h13-15,17-18,21-22,26H,5-12,16,19H2,1-4H3/t21-,22+/m0/s1