1-(4-hexyl-3-phenyl-phenoxy)propan-2-yl 2-butoxypropanoate

Systemtic Name: 1-(4-hexyl-3-phenyl-phenoxy)propan-2-yl 2-butoxypropanoate Openeye Name: [2-(4-hexyl-3-phenyl-phenoxy)-1-methyl-ethyl] 2-butoxypropanoate CAS Name: 2-butoxypropanoic acid 1-(4-hexyl-3-phenylphenoxy)propan-2-yl ester IUPAC Name: 1-(4-hexyl-3-phenylphenoxy)propan-2-yl 2-butoxypropanoate Traditional Name: 2-butoxypropionic acid [2-(4-hexyl-3-phenyl-phenoxy)-1-methyl-ethyl] ester Formula: C28H40O4 MolecularWeight: 440.6148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C(C=C1)OCC(C)OC(=O)C(C)OCCCC)C2=CC=CC=C2

Isomeric SMILES

CCCCCCC1=C(C=C(C=C1)OCC(C)OC(=O)C(C)OCCCC)C2=CC=CC=C2

InChI

InChI=1S/C28H40O4/c1-5-7-9-11-16-25-17-18-26(20-27(25)24-14-12-10-13-15-24)31-21-22(3)32-28(29)23(4)30-19-8-6-2/h10,12-15,17-18,20,22-23H,5-9,11,16,19,21H2,1-4H3