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

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

Systemtic Name:pyrimidin-5-yl 4-nonyl-2-(4-nonylphenyl)benzoate
Openeye Name:pyrimidin-5-yl 4-nonyl-2-(4-nonylphenyl)benzoate
CAS Name:4-nonyl-2-(4-nonylphenyl)benzoic acid 5-pyrimidinyl ester
IUPAC Name:pyrimidin-5-yl 4-nonyl-2-(4-nonylphenyl)benzoate
Traditional Name:4-nonyl-2-(4-nonylphenyl)benzoic acid 5-pyrimidyl ester
Formula: C35H48N2O2
MolecularWeight: 528.76782
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C2=C(C=CC(=C2)CCCCCCCCC)C(=O)OC3=CN=CN=C3


Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C2=C(C=CC(=C2)CCCCCCCCC)C(=O)OC3=CN=CN=C3


InChI

InChI=1S/C35H48N2O2/c1-3-5-7-9-11-13-15-17-29-19-22-31(23-20-29)34-25-30(18-16-14-12-10-8-6-4-2)21-24-33(34)35(38)39-32-26-36-28-37-27-32/h19-28H,3-18H2,1-2H3


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