2-methylbutyl 4-[(E)-2-(4-octoxyphenyl)ethenyl]benzoate

Systemtic Name: 2-methylbutyl 4-[(E)-2-(4-octoxyphenyl)ethenyl]benzoate Openeye Name: 2-methylbutyl 4-[(E)-2-(4-octoxyphenyl)vinyl]benzoate CAS Name: 4-[(E)-2-(4-octoxyphenyl)ethenyl]benzoic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl 4-[(E)-2-(4-octoxyphenyl)ethenyl]benzoate Traditional Name: 4-[(E)-2-(4-octoxyphenyl)vinyl]benzoic acid 2-methylbutyl ester Formula: C28H38O3 MolecularWeight: 422.59952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C=CC2=CC=C(C=C2)C(=O)OCC(C)CC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)C(=O)OCC(C)CC

InChI

InChI=1S/C28H38O3/c1-4-6-7-8-9-10-21-30-27-19-15-25(16-20-27)12-11-24-13-17-26(18-14-24)28(29)31-22-23(3)5-2/h11-20,23H,4-10,21-22H2,1-3H3/b12-11+