1-[2-ethyl-5-[(4-hexylphenyl)methoxy]-1,3-dioxan-4-yl]propyl pentanoate

Systemtic Name: 1-[2-ethyl-5-[(4-hexylphenyl)methoxy]-1,3-dioxan-4-yl]propyl pentanoate Openeye Name: 1-[2-ethyl-5-[(4-hexylphenyl)methoxy]-1,3-dioxan-4-yl]propyl pentanoate CAS Name: pentanoic acid 1-[2-ethyl-5-[(4-hexylphenyl)methoxy]-1,3-dioxan-4-yl]propyl ester IUPAC Name: 1-[2-ethyl-5-[(4-hexylphenyl)methoxy]-1,3-dioxan-4-yl]propyl pentanoate Traditional Name: valeric acid 1-[2-ethyl-5-(4-hexylbenzyl)oxy-1,3-dioxan-4-yl]propyl ester Formula: C27H44O5 MolecularWeight: 448.63526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)COC2COC(OC2C(CC)OC(=O)CCCC)CC

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)COC2COC(OC2C(CC)OC(=O)CCCC)CC

InChI

InChI=1S/C27H44O5/c1-5-9-11-12-13-21-15-17-22(18-16-21)19-29-24-20-30-26(8-4)32-27(24)23(7-3)31-25(28)14-10-6-2/h15-18,23-24,26-27H,5-14,19-20H2,1-4H3