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

Systemtic Name: 1-propoxypropan-2-yl 4-(4-octoxyphenyl)benzoate Openeye Name: (1-methyl-2-propoxy-ethyl) 4-(4-octoxyphenyl)benzoate CAS Name: 4-(4-octoxyphenyl)benzoic acid 1-propoxypropan-2-yl ester IUPAC Name: 1-propoxypropan-2-yl 4-(4-octoxyphenyl)benzoate Traditional Name: 4-(4-octoxyphenyl)benzoic acid (1-methyl-2-propoxy-ethyl) ester Formula: C27H38O4 MolecularWeight: 426.58822

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)COCCC

Isomeric SMILES

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

InChI

InChI=1S/C27H38O4/c1-4-6-7-8-9-10-20-30-26-17-15-24(16-18-26)23-11-13-25(14-12-23)27(28)31-22(3)21-29-19-5-2/h11-18,22H,4-10,19-21H2,1-3H3