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

Systemtic Name: 4-[6-(3,7-dimethyloct-6-enylsulfanyl)cyclohexa-2,4-dien-1-yl]-5-undecyl-pyrimidine Openeye Name: 4-[6-(3,7-dimethyloct-6-enylsulfanyl)cyclohexa-2,4-dien-1-yl]-5-undecyl-pyrimidine CAS Name: 4-[6-(3,7-dimethyloct-6-enylthio)-1-cyclohexa-2,4-dienyl]-5-undecylpyrimidine IUPAC Name: 4-[6-(3,7-dimethyloct-6-enylsulfanyl)cyclohexa-2,4-dien-1-yl]-5-undecylpyrimidine Traditional Name: 4-[6-(3,7-dimethyloct-6-enylthio)cyclohexa-2,4-dien-1-yl]-5-undecyl-pyrimidine Formula: C31H50N2S MolecularWeight: 482.8071

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=CN=CN=C1C2C=CC=CC2SCCC(C)CCC=C(C)C

Isomeric SMILES

CCCCCCCCCCCC1=CN=CN=C1C2C=CC=CC2SCCC(C)CCC=C(C)C

InChI

InChI=1S/C31H50N2S/c1-5-6-7-8-9-10-11-12-13-19-28-24-32-25-33-31(28)29-20-14-15-21-30(29)34-23-22-27(4)18-16-17-26(2)3/h14-15,17,20-21,24-25,27,29-30H,5-13,16,18-19,22-23H2,1-4H3