1-[4-(4-octoxyphenyl)phenyl]ethyl 2-butoxypropanoate

Systemtic Name: 1-[4-(4-octoxyphenyl)phenyl]ethyl 2-butoxypropanoate Openeye Name: 1-[4-(4-octoxyphenyl)phenyl]ethyl 2-butoxypropanoate CAS Name: 2-butoxypropanoic acid 1-[4-(4-octoxyphenyl)phenyl]ethyl ester IUPAC Name: 1-[4-(4-octoxyphenyl)phenyl]ethyl 2-butoxypropanoate Traditional Name: 2-butoxypropionic acid 1-[4-(4-octoxyphenyl)phenyl]ethyl 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)C(C)OC(=O)C(C)OCCCC

Isomeric SMILES

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

InChI

InChI=1S/C29H42O4/c1-5-7-9-10-11-12-22-32-28-19-17-27(18-20-28)26-15-13-25(14-16-26)23(3)33-29(30)24(4)31-21-8-6-2/h13-20,23-24H,5-12,21-22H2,1-4H3