2-chloranylnonyl 4-(5-hexylpyridin-2-yl)benzoate

Systemtic Name: 2-chloranylnonyl 4-(5-hexylpyridin-2-yl)benzoate Openeye Name: 2-chlorononyl 4-(5-hexyl-2-pyridyl)benzoate CAS Name: 4-(5-hexyl-2-pyridinyl)benzoic acid 2-chlorononyl ester IUPAC Name: 2-chlorononyl 4-(5-hexylpyridin-2-yl)benzoate Traditional Name: 4-(5-hexyl-2-pyridyl)benzoic acid 2-chlorononyl ester Formula: C27H38ClNO2 MolecularWeight: 444.04912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(COC(=O)C1=CC=C(C=C1)C2=NC=C(C=C2)CCCCCC)Cl

Isomeric SMILES

CCCCCCCC(COC(=O)C1=CC=C(C=C1)C2=NC=C(C=C2)CCCCCC)Cl

InChI

InChI=1S/C27H38ClNO2/c1-3-5-7-9-11-13-25(28)21-31-27(30)24-17-15-23(16-18-24)26-19-14-22(20-29-26)12-10-8-6-4-2/h14-20,25H,3-13,21H2,1-2H3