2-(4-dodecylphenyl)-5-undecoxy-pyrimidine; 2-(4-pentylphenyl)-5-undecoxy-pyrimidine; 5-undecoxy-2-(4-undecylphenyl)pyrimidine

Systemtic Name: 2-(4-dodecylphenyl)-5-undecoxy-pyrimidine; 2-(4-pentylphenyl)-5-undecoxy-pyrimidine; 5-undecoxy-2-(4-undecylphenyl)pyrimidine Openeye Name: 2-(4-dodecylphenyl)-5-undecoxy-pyrimidine; 2-(4-pentylphenyl)-5-undecoxy-pyrimidine; 5-undecoxy-2-(4-undecylphenyl)pyrimidine CAS Name: 2-(4-dodecylphenyl)-5-undecoxypyrimidine; 2-(4-pentylphenyl)-5-undecoxypyrimidine; 5-undecoxy-2-(4-undecylphenyl)pyrimidine IUPAC Name: 2-(4-dodecylphenyl)-5-undecoxypyrimidine; 2-(4-pentylphenyl)-5-undecoxypyrimidine; 5-undecoxy-2-(4-undecylphenyl)pyrimidine Traditional Name: 2-(4-amylphenyl)-5-undecoxy-pyrimidine; 2-(4-laurylphenyl)-5-undecoxy-pyrimidine; 5-undecoxy-2-(4-undecylphenyl)pyrimidine Formula: C91H146N6O3 MolecularWeight: 1372.17134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OCCCCCCCCCCC.CCCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OCCCCCCCCCCC.CCCCCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)CCCCC

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OCCCCCCCCCCC.CCCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OCCCCCCCCCCC.CCCCCCCCCCCOC1=CN=C(N=C1)C2=CC=C(C=C2)CCCCC

InChI

InChI=1S/C33H54N2O.C32H52N2O.C26H40N2O/c1-3-5-7-9-11-13-14-16-18-20-22-30-23-25-31(26-24-30)33-34-28-32(29-35-33)36-27-21-19-17-15-12-10-8-6-4-2;1-3-5-7-9-11-13-15-17-19-21-29-22-24-30(25-23-29)32-33-27-31(28-34-32)35-26-20-18-16-14-12-10-8-6-4-2;1-3-5-7-8-9-10-11-12-14-20-29-25-21-27-26(28-22-25)24-18-16-23(17-19-24)15-13-6-4-2/h23-26,28-29H,3-22,27H2,1-2H3;22-25,27-28H,3-21,26H2,1-2H3;16-19,21-22H,3-15,20H2,1-2H3