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

Systemtic Name: 1-[5-[(2,6-dimethylphenyl)methoxy]-2-propan-2-yl-1,3-dioxan-4-yl]ethyl benzoate Openeye Name: 1-[5-[(2,6-dimethylphenyl)methoxy]-2-isopropyl-1,3-dioxan-4-yl]ethyl benzoate CAS Name: benzoic acid 1-[5-[(2,6-dimethylphenyl)methoxy]-2-propan-2-yl-1,3-dioxan-4-yl]ethyl ester IUPAC Name: 1-[5-[(2,6-dimethylphenyl)methoxy]-2-propan-2-yl-1,3-dioxan-4-yl]ethyl benzoate Traditional Name: benzoic acid 1-[5-(2,6-dimethylbenzyl)oxy-2-isopropyl-1,3-dioxan-4-yl]ethyl ester Formula: C25H32O5 MolecularWeight: 412.51858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)COC2COC(OC2C(C)OC(=O)C3=CC=CC=C3)C(C)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)COC2COC(OC2C(C)OC(=O)C3=CC=CC=C3)C(C)C

InChI

InChI=1S/C25H32O5/c1-16(2)25-28-15-22(27-14-21-17(3)10-9-11-18(21)4)23(30-25)19(5)29-24(26)20-12-7-6-8-13-20/h6-13,16,19,22-23,25H,14-15H2,1-5H3