(2-octan-4-ylphenyl) 4-[4-(1-decoxyethyl)phenyl]benzoate

Systemtic Name: (2-octan-4-ylphenyl) 4-[4-(1-decoxyethyl)phenyl]benzoate Openeye Name: [2-(1-propylpentyl)phenyl] 4-[4-(1-decoxyethyl)phenyl]benzoate CAS Name: 4-[4-(1-decoxyethyl)phenyl]benzoic acid (2-octan-4-ylphenyl) ester IUPAC Name: (2-octan-4-ylphenyl) 4-[4-(1-decoxyethyl)phenyl]benzoate Traditional Name: 4-[4-(1-decoxyethyl)phenyl]benzoic acid [2-(1-propylpentyl)phenyl] ester Formula: C39H54O3 MolecularWeight: 570.84426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3C(CCC)CCCC

Isomeric SMILES

CCCCCCCCCCOC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3C(CCC)CCCC

InChI

InChI=1S/C39H54O3/c1-5-8-10-11-12-13-14-17-30-41-31(4)32-22-24-33(25-23-32)34-26-28-36(29-27-34)39(40)42-38-21-16-15-20-37(38)35(18-7-3)19-9-6-2/h15-16,20-29,31,35H,5-14,17-19,30H2,1-4H3