[4-[4-(1-hexoxyethyl)phenyl]phenyl] 4-butylbenzoate

Systemtic Name: [4-[4-(1-hexoxyethyl)phenyl]phenyl] 4-butylbenzoate Openeye Name: [4-[4-(1-hexoxyethyl)phenyl]phenyl] 4-butylbenzoate CAS Name: 4-butylbenzoic acid [4-[4-(1-hexoxyethyl)phenyl]phenyl] ester IUPAC Name: [4-[4-(1-hexoxyethyl)phenyl]phenyl] 4-butylbenzoate Traditional Name: 4-butylbenzoic acid [4-[4-(1-hexoxyethyl)phenyl]phenyl] ester Formula: C31H38O3 MolecularWeight: 458.63162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)CCCC

Isomeric SMILES

CCCCCCOC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)CCCC

InChI

InChI=1S/C31H38O3/c1-4-6-8-9-23-33-24(3)26-15-17-27(18-16-26)28-19-21-30(22-20-28)34-31(32)29-13-11-25(12-14-29)10-7-5-2/h11-22,24H,4-10,23H2,1-3H3