5-nonan-5-yl-3-(4-nonylphenoxy)-2-pentyl-pyrazine

Systemtic Name: 5-nonan-5-yl-3-(4-nonylphenoxy)-2-pentyl-pyrazine Openeye Name: 5-(1-butylpentyl)-3-(4-nonylphenoxy)-2-pentyl-pyrazine CAS Name: 5-nonan-5-yl-3-(4-nonylphenoxy)-2-pentylpyrazine IUPAC Name: 5-nonan-5-yl-3-(4-nonylphenoxy)-2-pentylpyrazine Traditional Name: 2-amyl-5-(1-butylpentyl)-3-(4-nonylphenoxy)pyrazine Formula: C33H54N2O MolecularWeight: 494.79466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)OC2=NC(=CN=C2CCCCC)C(CCCC)CCCC

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)OC2=NC(=CN=C2CCCCC)C(CCCC)CCCC

InChI

InChI=1S/C33H54N2O/c1-5-9-13-14-15-16-18-19-28-23-25-30(26-24-28)36-33-31(22-17-10-6-2)34-27-32(35-33)29(20-11-7-3)21-12-8-4/h23-27,29H,5-22H2,1-4H3