5-(8-methyldecoxy)-2-(1-nonyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidine

Systemtic Name: 5-(8-methyldecoxy)-2-(1-nonyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidine Openeye Name: 5-(8-methyldecoxy)-2-(1-nonyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidine CAS Name: 5-(8-methyldecoxy)-2-(1-nonyl-4-phenyl-1-cyclohexa-2,5-dienyl)pyrimidine IUPAC Name: 5-(8-methyldecoxy)-2-(1-nonyl-4-phenylcyclohexa-2,5-dien-1-yl)pyrimidine Traditional Name: 5-(8-methyldecoxy)-2-(1-nonyl-4-phenyl-cyclohexa-2,5-dien-1-yl)pyrimidine Formula: C36H54N2O MolecularWeight: 530.82676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)C3=NC=C(C=N3)OCCCCCCCC(C)CC

Isomeric SMILES

CCCCCCCCCC1(C=CC(C=C1)C2=CC=CC=C2)C3=NC=C(C=N3)OCCCCCCCC(C)CC

InChI

InChI=1S/C36H54N2O/c1-4-6-7-8-9-12-18-25-36(26-23-33(24-27-36)32-21-16-14-17-22-32)35-37-29-34(30-38-35)39-28-19-13-10-11-15-20-31(3)5-2/h14,16-17,21-24,26-27,29-31,33H,4-13,15,18-20,25,28H2,1-3H3