1-butoxypropan-2-yl 4-(4-octanoyloxyphenyl)benzoate

Systemtic Name: 1-butoxypropan-2-yl 4-(4-octanoyloxyphenyl)benzoate Openeye Name: (2-butoxy-1-methyl-ethyl) 4-(4-octanoyloxyphenyl)benzoate CAS Name: 4-[4-(1-oxooctoxy)phenyl]benzoic acid 1-butoxypropan-2-yl ester IUPAC Name: 1-butoxypropan-2-yl 4-(4-octanoyloxyphenyl)benzoate Traditional Name: 4-(4-caprylyloxyphenyl)benzoic acid (2-butoxy-1-methyl-ethyl) ester Formula: C28H38O5 MolecularWeight: 454.59832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC(C)COCCCC

Isomeric SMILES

CCCCCCCC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC(C)COCCCC

InChI

InChI=1S/C28H38O5/c1-4-6-8-9-10-11-27(29)33-26-18-16-24(17-19-26)23-12-14-25(15-13-23)28(30)32-22(3)21-31-20-7-5-2/h12-19,22H,4-11,20-21H2,1-3H3