methyl 4-[4,6-bis(chloranyl)-5-nonyl-pyrimidin-2-yl]benzoate

Systemtic Name: methyl 4-[4,6-bis(chloranyl)-5-nonyl-pyrimidin-2-yl]benzoate Openeye Name: methyl 4-(4,6-dichloro-5-nonyl-pyrimidin-2-yl)benzoate CAS Name: 4-(4,6-dichloro-5-nonyl-2-pyrimidinyl)benzoic acid methyl ester IUPAC Name: methyl 4-(4,6-dichloro-5-nonylpyrimidin-2-yl)benzoate Traditional Name: 4-(4,6-dichloro-5-nonyl-pyrimidin-2-yl)benzoic acid methyl ester Formula: C21H26Cl2N2O2 MolecularWeight: 409.34934

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=C(N=C(N=C1Cl)C2=CC=C(C=C2)C(=O)OC)Cl

Isomeric SMILES

CCCCCCCCCC1=C(N=C(N=C1Cl)C2=CC=C(C=C2)C(=O)OC)Cl

InChI

InChI=1S/C21H26Cl2N2O2/c1-3-4-5-6-7-8-9-10-17-18(22)24-20(25-19(17)23)15-11-13-16(14-12-15)21(26)27-2/h11-14H,3-10H2,1-2H3