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

Systemtic Name: 4-[6-(3,7-dimethyloct-6-enylsulfanyl)cyclohexa-2,4-dien-1-yl]-5-nonyl-pyrimidine Openeye Name: 4-[6-(3,7-dimethyloct-6-enylsulfanyl)cyclohexa-2,4-dien-1-yl]-5-nonyl-pyrimidine CAS Name: 4-[6-(3,7-dimethyloct-6-enylthio)-1-cyclohexa-2,4-dienyl]-5-nonylpyrimidine IUPAC Name: 4-[6-(3,7-dimethyloct-6-enylsulfanyl)cyclohexa-2,4-dien-1-yl]-5-nonylpyrimidine Traditional Name: 4-[6-(3,7-dimethyloct-6-enylthio)cyclohexa-2,4-dien-1-yl]-5-nonyl-pyrimidine Formula: C29H46N2S MolecularWeight: 454.75394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=CN=C1C2C=CC=CC2SCCC(C)CCC=C(C)C

Isomeric SMILES

CCCCCCCCCC1=CN=CN=C1C2C=CC=CC2SCCC(C)CCC=C(C)C

InChI

InChI=1S/C29H46N2S/c1-5-6-7-8-9-10-11-17-26-22-30-23-31-29(26)27-18-12-13-19-28(27)32-21-20-25(4)16-14-15-24(2)3/h12-13,15,18-19,22-23,25,27-28H,5-11,14,16-17,20-21H2,1-4H3