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

Systemtic Name: 4-[6-(3,7-dimethyloct-6-enylsulfanyl)cyclohexa-2,4-dien-1-yl]-5-octyl-pyrimidine Openeye Name: 4-[6-(3,7-dimethyloct-6-enylsulfanyl)cyclohexa-2,4-dien-1-yl]-5-octyl-pyrimidine CAS Name: 4-[6-(3,7-dimethyloct-6-enylthio)-1-cyclohexa-2,4-dienyl]-5-octylpyrimidine IUPAC Name: 4-[6-(3,7-dimethyloct-6-enylsulfanyl)cyclohexa-2,4-dien-1-yl]-5-octylpyrimidine Traditional Name: 4-[6-(3,7-dimethyloct-6-enylthio)cyclohexa-2,4-dien-1-yl]-5-octyl-pyrimidine Formula: C28H44N2S MolecularWeight: 440.72736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=CN=C1C2C=CC=CC2SCCC(C)CCC=C(C)C

Isomeric SMILES

CCCCCCCCC1=CN=CN=C1C2C=CC=CC2SCCC(C)CCC=C(C)C

InChI

InChI=1S/C28H44N2S/c1-5-6-7-8-9-10-16-25-21-29-22-30-28(25)26-17-11-12-18-27(26)31-20-19-24(4)15-13-14-23(2)3/h11-12,14,17-18,21-22,24,26-27H,5-10,13,15-16,19-20H2,1-4H3