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

Systemtic Name: [4-(1-nonoxyethyl)phenyl] 4-butylbenzoate Openeye Name: [4-(1-nonoxyethyl)phenyl] 4-butylbenzoate CAS Name: 4-butylbenzoic acid [4-(1-nonoxyethyl)phenyl] ester IUPAC Name: [4-(1-nonoxyethyl)phenyl] 4-butylbenzoate Traditional Name: 4-butylbenzoic acid [4-(1-nonoxyethyl)phenyl] ester Formula: C28H40O3 MolecularWeight: 424.6154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC(C)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)CCCC

Isomeric SMILES

CCCCCCCCCOC(C)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)CCCC

InChI

InChI=1S/C28H40O3/c1-4-6-8-9-10-11-12-22-30-23(3)25-18-20-27(21-19-25)31-28(29)26-16-14-24(15-17-26)13-7-5-2/h14-21,23H,4-13,22H2,1-3H3