5-(4-methylhexyl)-2-(1-octyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidine

Systemtic Name: 5-(4-methylhexyl)-2-(1-octyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidine Openeye Name: 5-(4-methylhexyl)-2-(1-octyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidine CAS Name: 5-(4-methylhexyl)-2-(1-octyl-4-phenyl-1-cyclohexa-2,5-dienyl)pyrimidine IUPAC Name: 5-(4-methylhexyl)-2-(1-octyl-4-phenylcyclohexa-2,5-dien-1-yl)pyrimidine Traditional Name: 5-(4-methylhexyl)-2-(1-octyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidine Formula: C31H44N2 MolecularWeight: 444.69446

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)C3=NC=C(C=N3)CCCC(C)CC

Isomeric SMILES

CCCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)C3=NC=C(C=N3)CCCC(C)CC

InChI

InChI=1S/C31H44N2/c1-4-6-7-8-9-13-21-31(22-19-29(20-23-31)28-17-11-10-12-18-28)30-32-24-27(25-33-30)16-14-15-26(3)5-2/h10-12,17-20,22-26,29H,4-9,13-16,21H2,1-3H3