1-[4-(4-hexoxyphenyl)phenoxy]propan-2-yl 4-methylhexanoate

Systemtic Name: 1-[4-(4-hexoxyphenyl)phenoxy]propan-2-yl 4-methylhexanoate Openeye Name: [2-[4-(4-hexoxyphenyl)phenoxy]-1-methyl-ethyl] 4-methylhexanoate CAS Name: 4-methylhexanoic acid 1-[4-(4-hexoxyphenyl)phenoxy]propan-2-yl ester IUPAC Name: 1-[4-(4-hexoxyphenyl)phenoxy]propan-2-yl 4-methylhexanoate Traditional Name: 4-methylhexanoic acid [2-[4-(4-hexoxyphenyl)phenoxy]-1-methyl-ethyl] ester Formula: C28H40O4 MolecularWeight: 440.6148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OCC(C)OC(=O)CCC(C)CC

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OCC(C)OC(=O)CCC(C)CC

InChI

InChI=1S/C28H40O4/c1-5-7-8-9-20-30-26-15-11-24(12-16-26)25-13-17-27(18-14-25)31-21-23(4)32-28(29)19-10-22(3)6-2/h11-18,22-23H,5-10,19-21H2,1-4H3