[(2S)-1-[(2S,3S)-3-hexyl-4-oxidanylidene-oxetan-2-yl]tridecan-2-yl] benzoate

Systemtic Name: [(2S)-1-[(2S,3S)-3-hexyl-4-oxidanylidene-oxetan-2-yl]tridecan-2-yl] benzoate Openeye Name: [(1S)-1-[[(2S,3S)-3-hexyl-4-oxo-oxetan-2-yl]methyl]dodecyl] benzoate CAS Name: benzoic acid [(2S)-1-[(2S,3S)-3-hexyl-4-oxo-2-oxetanyl]tridecan-2-yl] ester IUPAC Name: [(2S)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]tridecan-2-yl] benzoate Traditional Name: benzoic acid [(1S)-1-[[(2S,3S)-3-hexyl-4-keto-oxetan-2-yl]methyl]dodecyl] ester Formula: C29H46O4 MolecularWeight: 458.67314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC1C(C(=O)O1)CCCCCC)OC(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C29H46O4/c1-3-5-7-9-10-11-12-13-17-21-25(32-28(30)24-19-15-14-16-20-24)23-27-26(29(31)33-27)22-18-8-6-4-2/h14-16,19-20,25-27H,3-13,17-18,21-23H2,1-2H3/t25-,26-,27-/m0/s1