4-[6-(3,7-dimethyloct-6-enylsulfanyl)cyclohexa-2,4-dien-1-yl]-5-dodecyl-pyrimidine

Systemtic Name: 4-[6-(3,7-dimethyloct-6-enylsulfanyl)cyclohexa-2,4-dien-1-yl]-5-dodecyl-pyrimidine Openeye Name: 4-[6-(3,7-dimethyloct-6-enylsulfanyl)cyclohexa-2,4-dien-1-yl]-5-dodecyl-pyrimidine CAS Name: 4-[6-(3,7-dimethyloct-6-enylthio)-1-cyclohexa-2,4-dienyl]-5-dodecylpyrimidine IUPAC Name: 4-[6-(3,7-dimethyloct-6-enylsulfanyl)cyclohexa-2,4-dien-1-yl]-5-dodecylpyrimidine Traditional Name: 4-[6-(3,7-dimethyloct-6-enylthio)cyclohexa-2,4-dien-1-yl]-5-lauryl-pyrimidine Formula: C32H52N2S MolecularWeight: 496.83368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CN=CN=C1C2C=CC=CC2SCCC(C)CCC=C(C)C

Isomeric SMILES

CCCCCCCCCCCCC1=CN=CN=C1C2C=CC=CC2SCCC(C)CCC=C(C)C

InChI

InChI=1S/C32H52N2S/c1-5-6-7-8-9-10-11-12-13-14-20-29-25-33-26-34-32(29)30-21-15-16-22-31(30)35-24-23-28(4)19-17-18-27(2)3/h15-16,18,21-22,25-26,28,30-31H,5-14,17,19-20,23-24H2,1-4H3