6-[4-(4-pentoxyphenyl)phenoxy]hexyl 2-methylbutanoate

Systemtic Name: 6-[4-(4-pentoxyphenyl)phenoxy]hexyl 2-methylbutanoate Openeye Name: 6-[4-(4-pentoxyphenyl)phenoxy]hexyl 2-methylbutanoate CAS Name: 2-methylbutanoic acid 6-[4-(4-pentoxyphenyl)phenoxy]hexyl ester IUPAC Name: 6-[4-(4-pentoxyphenyl)phenoxy]hexyl 2-methylbutanoate Traditional Name: 2-methylbutyric acid 6-[4-(4-amoxyphenyl)phenoxy]hexyl ester Formula: C28H40O4 MolecularWeight: 440.6148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OCCCCCCOC(=O)C(C)CC

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OCCCCCCOC(=O)C(C)CC

InChI

InChI=1S/C28H40O4/c1-4-6-9-20-30-26-16-12-24(13-17-26)25-14-18-27(19-15-25)31-21-10-7-8-11-22-32-28(29)23(3)5-2/h12-19,23H,4-11,20-22H2,1-3H3