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

Systemtic Name: 1-butoxypropan-2-yl 4-(4-octoxyphenyl)benzoate Openeye Name: (2-butoxy-1-methyl-ethyl) 4-(4-octoxyphenyl)benzoate CAS Name: 4-(4-octoxyphenyl)benzoic acid 1-butoxypropan-2-yl ester IUPAC Name: 1-butoxypropan-2-yl 4-(4-octoxyphenyl)benzoate Traditional Name: 4-(4-octoxyphenyl)benzoic acid (2-butoxy-1-methyl-ethyl) ester Formula: C28H40O4 MolecularWeight: 440.6148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H40O4/c1-4-6-8-9-10-11-21-31-27-18-16-25(17-19-27)24-12-14-26(15-13-24)28(29)32-23(3)22-30-20-7-5-2/h12-19,23H,4-11,20-22H2,1-3H3