5-nonyl-3-(4-nonylphenoxy)-2-pentyl-pyrazine

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H54N2O/c1-4-7-10-12-14-16-19-21-29-24-26-31(27-25-29)36-33-32(23-18-9-6-3)34-28-30(35-33)22-20-17-15-13-11-8-5-2/h24-28H,4-23H2,1-3H3