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

Systemtic Name: (2-dodecan-4-yloxyphenyl) 4-[4-(1-hexoxyethyl)phenyl]benzoate Openeye Name: [2-(1-propylnonoxy)phenyl] 4-[4-(1-hexoxyethyl)phenyl]benzoate CAS Name: 4-[4-(1-hexoxyethyl)phenyl]benzoic acid (2-dodecan-4-yloxyphenyl) ester IUPAC Name: (2-dodecan-4-yloxyphenyl) 4-[4-(1-hexoxyethyl)phenyl]benzoate Traditional Name: 4-[4-(1-hexoxyethyl)phenyl]benzoic acid [2-(1-propylnonoxy)phenyl] ester Formula: C39H54O4 MolecularWeight: 586.84366

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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)OCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C39H54O4/c1-5-8-10-12-13-14-19-36(18-7-3)42-37-20-15-16-21-38(37)43-39(40)35-28-26-34(27-29-35)33-24-22-32(23-25-33)31(4)41-30-17-11-9-6-2/h15-16,20-29,31,36H,5-14,17-19,30H2,1-4H3