1-(3-dodecylquinoxalin-2-yl)tridecan-1-one

Systemtic Name: 1-(3-dodecylquinoxalin-2-yl)tridecan-1-one Openeye Name: 1-(3-dodecylquinoxalin-2-yl)tridecan-1-one CAS Name: 1-(3-dodecyl-2-quinoxalinyl)-1-tridecanone IUPAC Name: 1-(3-dodecylquinoxalin-2-yl)tridecan-1-one Traditional Name: 1-(3-laurylquinoxalin-2-yl)tridecan-1-one Formula: C33H54N2O MolecularWeight: 494.79466

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=NC2=CC=CC=C2N=C1C(=O)CCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCC1=NC2=CC=CC=C2N=C1C(=O)CCCCCCCCCCCC

InChI

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