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

Systemtic Name: 5-decyl-4-[6-(3,7-dimethyloct-6-enylsulfanyl)cyclohexa-2,4-dien-1-yl]pyrimidine Openeye Name: 5-decyl-4-[6-(3,7-dimethyloct-6-enylsulfanyl)cyclohexa-2,4-dien-1-yl]pyrimidine CAS Name: 5-decyl-4-[6-(3,7-dimethyloct-6-enylthio)-1-cyclohexa-2,4-dienyl]pyrimidine IUPAC Name: 5-decyl-4-[6-(3,7-dimethyloct-6-enylsulfanyl)cyclohexa-2,4-dien-1-yl]pyrimidine Traditional Name: 5-decyl-4-[6-(3,7-dimethyloct-6-enylthio)cyclohexa-2,4-dien-1-yl]pyrimidine Formula: C30H48N2S MolecularWeight: 468.78052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CN=CN=C1C2C=CC=CC2SCCC(C)CCC=C(C)C

Isomeric SMILES

CCCCCCCCCCC1=CN=CN=C1C2C=CC=CC2SCCC(C)CCC=C(C)C

InChI

InChI=1S/C30H48N2S/c1-5-6-7-8-9-10-11-12-18-27-23-31-24-32-30(27)28-19-13-14-20-29(28)33-22-21-26(4)17-15-16-25(2)3/h13-14,16,19-20,23-24,26,28-29H,5-12,15,17-18,21-22H2,1-4H3