5-[4-(4-octoxyphenyl)phenoxy]pentan-2-yl butanoate

Systemtic Name: 5-[4-(4-octoxyphenyl)phenoxy]pentan-2-yl butanoate Openeye Name: [1-methyl-4-[4-(4-octoxyphenyl)phenoxy]butyl] butanoate CAS Name: butanoic acid 5-[4-(4-octoxyphenyl)phenoxy]pentan-2-yl ester IUPAC Name: 5-[4-(4-octoxyphenyl)phenoxy]pentan-2-yl butanoate Traditional Name: butyric acid [1-methyl-4-[4-(4-octoxyphenyl)phenoxy]butyl] ester Formula: C29H42O4 MolecularWeight: 454.64138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OCCCC(C)OC(=O)CCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OCCCC(C)OC(=O)CCC

InChI

InChI=1S/C29H42O4/c1-4-6-7-8-9-10-22-31-27-18-14-25(15-19-27)26-16-20-28(21-17-26)32-23-11-13-24(3)33-29(30)12-5-2/h14-21,24H,4-13,22-23H2,1-3H3