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

Systemtic Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 3-chloranyl-4-nonyl-benzoate Openeye Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 3-chloro-4-nonyl-benzoate CAS Name: 3-chloro-4-nonylbenzoic acid [4-(5-hexyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 3-chloro-4-nonylbenzoate Traditional Name: 3-chloro-4-nonyl-benzoic acid [4-(5-hexylpyrimidin-2-yl)phenyl] ester Formula: C32H41ClN2O2 MolecularWeight: 521.13314

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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)CCCCCC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C32H41ClN2O2/c1-3-5-7-9-10-11-13-15-26-16-17-28(22-30(26)33)32(36)37-29-20-18-27(19-21-29)31-34-23-25(24-35-31)14-12-8-6-4-2/h16-24H,3-15H2,1-2H3