[4-(5-nonylpyrimidin-2-yl)phenyl] 3-chloranyl-4-nonyl-benzoate

Systemtic Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 3-chloranyl-4-nonyl-benzoate Openeye Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 3-chloro-4-nonyl-benzoate CAS Name: 3-chloro-4-nonylbenzoic acid [4-(5-nonyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-nonylpyrimidin-2-yl)phenyl] 3-chloro-4-nonylbenzoate Traditional Name: 3-chloro-4-nonyl-benzoic acid [4-(5-nonylpyrimidin-2-yl)phenyl] ester Formula: C35H47ClN2O2 MolecularWeight: 563.21288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCCCCCC)Cl

Isomeric SMILES

CCCCCCCCCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCCCCCC)Cl

InChI

InChI=1S/C35H47ClN2O2/c1-3-5-7-9-11-13-15-17-28-26-37-34(38-27-28)30-21-23-32(24-22-30)40-35(39)31-20-19-29(33(36)25-31)18-16-14-12-10-8-6-4-2/h19-27H,3-18H2,1-2H3