1-[5-[(2,6-dimethylphenyl)methoxy]-2-hexyl-1,3-dioxan-4-yl]ethyl benzoate

Systemtic Name: 1-[5-[(2,6-dimethylphenyl)methoxy]-2-hexyl-1,3-dioxan-4-yl]ethyl benzoate Openeye Name: 1-[5-[(2,6-dimethylphenyl)methoxy]-2-hexyl-1,3-dioxan-4-yl]ethyl benzoate CAS Name: benzoic acid 1-[5-[(2,6-dimethylphenyl)methoxy]-2-hexyl-1,3-dioxan-4-yl]ethyl ester IUPAC Name: 1-[5-[(2,6-dimethylphenyl)methoxy]-2-hexyl-1,3-dioxan-4-yl]ethyl benzoate Traditional Name: benzoic acid 1-[5-(2,6-dimethylbenzyl)oxy-2-hexyl-1,3-dioxan-4-yl]ethyl ester Formula: C28H38O5 MolecularWeight: 454.59832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1OCC(C(O1)C(C)OC(=O)C2=CC=CC=C2)OCC3=C(C=CC=C3C)C

Isomeric SMILES

CCCCCCC1OCC(C(O1)C(C)OC(=O)C2=CC=CC=C2)OCC3=C(C=CC=C3C)C

InChI

InChI=1S/C28H38O5/c1-5-6-7-11-17-26-31-19-25(30-18-24-20(2)13-12-14-21(24)3)27(33-26)22(4)32-28(29)23-15-9-8-10-16-23/h8-10,12-16,22,25-27H,5-7,11,17-19H2,1-4H3