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

Systemtic Name: 1-butoxypropan-2-yl 4-(4-octylphenyl)benzoate Openeye Name: (2-butoxy-1-methyl-ethyl) 4-(4-octylphenyl)benzoate CAS Name: 4-(4-octylphenyl)benzoic acid 1-butoxypropan-2-yl ester IUPAC Name: 1-butoxypropan-2-yl 4-(4-octylphenyl)benzoate Traditional Name: 4-(4-octylphenyl)benzoic acid (2-butoxy-1-methyl-ethyl) ester Formula: C28H40O3 MolecularWeight: 424.6154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC(C)COCCCC

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC(C)COCCCC

InChI

InChI=1S/C28H40O3/c1-4-6-8-9-10-11-12-24-13-15-25(16-14-24)26-17-19-27(20-18-26)28(29)31-23(3)22-30-21-7-5-2/h13-20,23H,4-12,21-22H2,1-3H3