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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC(C)COCCC

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC(C)COCCC

InChI

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