pyrazin-2-yl 3-(4-hexylphenyl)-4-nonyl-benzoate

Systemtic Name: pyrazin-2-yl 3-(4-hexylphenyl)-4-nonyl-benzoate Openeye Name: pyrazin-2-yl 3-(4-hexylphenyl)-4-nonyl-benzoate CAS Name: 3-(4-hexylphenyl)-4-nonylbenzoic acid 2-pyrazinyl ester IUPAC Name: pyrazin-2-yl 3-(4-hexylphenyl)-4-nonylbenzoate Traditional Name: 3-(4-hexylphenyl)-4-nonyl-benzoic acid pyrazin-2-yl ester Formula: C32H42N2O2 MolecularWeight: 486.68808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H42N2O2/c1-3-5-7-9-10-11-13-15-27-20-21-29(32(35)36-31-25-33-22-23-34-31)24-30(27)28-18-16-26(17-19-28)14-12-8-6-4-2/h16-25H,3-15H2,1-2H3