(2-dodecan-4-yloxyphenyl) 4-[4-(1-butoxyethyl)phenyl]benzoate

Systemtic Name: (2-dodecan-4-yloxyphenyl) 4-[4-(1-butoxyethyl)phenyl]benzoate Openeye Name: [2-(1-propylnonoxy)phenyl] 4-[4-(1-butoxyethyl)phenyl]benzoate CAS Name: 4-[4-(1-butoxyethyl)phenyl]benzoic acid (2-dodecan-4-yloxyphenyl) ester IUPAC Name: (2-dodecan-4-yloxyphenyl) 4-[4-(1-butoxyethyl)phenyl]benzoate Traditional Name: 4-[4-(1-butoxyethyl)phenyl]benzoic acid [2-(1-propylnonoxy)phenyl] ester Formula: C37H50O4 MolecularWeight: 558.7905

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCC)OC1=CC=CC=C1OC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C(C)OCCCC

Isomeric SMILES

CCCCCCCCC(CCC)OC1=CC=CC=C1OC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C(C)OCCCC

InChI

InChI=1S/C37H50O4/c1-5-8-10-11-12-13-17-34(16-7-3)40-35-18-14-15-19-36(35)41-37(38)33-26-24-32(25-27-33)31-22-20-30(21-23-31)29(4)39-28-9-6-2/h14-15,18-27,29,34H,5-13,16-17,28H2,1-4H3