3-[(2S,4S,6S)-2-tert-butyl-6-hexyl-1,3-dioxan-4-yl]propyl benzoate

Systemtic Name: 3-[(2S,4S,6S)-2-tert-butyl-6-hexyl-1,3-dioxan-4-yl]propyl benzoate Openeye Name: 3-[(2S,4S,6S)-2-tert-butyl-6-hexyl-1,3-dioxan-4-yl]propyl benzoate CAS Name: benzoic acid 3-[(2S,4S,6S)-2-tert-butyl-6-hexyl-1,3-dioxan-4-yl]propyl ester IUPAC Name: 3-[(2S,4S,6S)-2-tert-butyl-6-hexyl-1,3-dioxan-4-yl]propyl benzoate Traditional Name: benzoic acid 3-[(2S,4S,6S)-2-tert-butyl-6-hexyl-1,3-dioxan-4-yl]propyl ester Formula: C24H38O4 MolecularWeight: 390.55612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CC(OC(O1)C(C)(C)C)CCCOC(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C24H38O4/c1-5-6-7-11-15-20-18-21(28-23(27-20)24(2,3)4)16-12-17-26-22(25)19-13-9-8-10-14-19/h8-10,13-14,20-21,23H,5-7,11-12,15-18H2,1-4H3/t20-,21-,23-/m0/s1