pyrimidin-5-yl 2-(4-decylphenyl)-4-nonyl-benzoate

Systemtic Name: pyrimidin-5-yl 2-(4-decylphenyl)-4-nonyl-benzoate Openeye Name: pyrimidin-5-yl 2-(4-decylphenyl)-4-nonyl-benzoate CAS Name: 2-(4-decylphenyl)-4-nonylbenzoic acid 5-pyrimidinyl ester IUPAC Name: pyrimidin-5-yl 2-(4-decylphenyl)-4-nonylbenzoate Traditional Name: 2-(4-decylphenyl)-4-nonyl-benzoic acid 5-pyrimidyl ester Formula: C36H50N2O2 MolecularWeight: 542.7944

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=C(C=C1)C2=C(C=CC(=C2)CCCCCCCCC)C(=O)OC3=CN=CN=C3

Isomeric SMILES

CCCCCCCCCCC1=CC=C(C=C1)C2=C(C=CC(=C2)CCCCCCCCC)C(=O)OC3=CN=CN=C3

InChI

InChI=1S/C36H50N2O2/c1-3-5-7-9-11-13-14-16-18-30-20-23-32(24-21-30)35-26-31(19-17-15-12-10-8-6-4-2)22-25-34(35)36(39)40-33-27-37-29-38-28-33/h20-29H,3-19H2,1-2H3