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

Systemtic Name: (2-dodecan-4-yloxyphenyl) 4-[4-(1-octoxyethyl)phenyl]benzoate Openeye Name: [2-(1-propylnonoxy)phenyl] 4-[4-(1-octoxyethyl)phenyl]benzoate CAS Name: 4-[4-(1-octoxyethyl)phenyl]benzoic acid (2-dodecan-4-yloxyphenyl) ester IUPAC Name: (2-dodecan-4-yloxyphenyl) 4-[4-(1-octoxyethyl)phenyl]benzoate Traditional Name: 4-[4-(1-octoxyethyl)phenyl]benzoic acid [2-(1-propylnonoxy)phenyl] ester Formula: C41H58O4 MolecularWeight: 614.89682

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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)OCCCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C41H58O4/c1-5-8-10-12-14-16-21-38(20-7-3)44-39-22-17-18-23-40(39)45-41(42)37-30-28-36(29-31-37)35-26-24-34(25-27-35)33(4)43-32-19-15-13-11-9-6-2/h17-18,22-31,33,38H,5-16,19-21,32H2,1-4H3