5-butyl-2-[4-(4-heptyl-2-methyl-phenyl)cyclohexyl]-1,3-dithiane

Systemtic Name: 5-butyl-2-[4-(4-heptyl-2-methyl-phenyl)cyclohexyl]-1,3-dithiane Openeye Name: 5-butyl-2-[4-(4-heptyl-2-methyl-phenyl)cyclohexyl]-1,3-dithiane CAS Name: 5-butyl-2-[4-(4-heptyl-2-methylphenyl)cyclohexyl]-1,3-dithiane IUPAC Name: 5-butyl-2-[4-(4-heptyl-2-methylphenyl)cyclohexyl]-1,3-dithiane Traditional Name: 5-butyl-2-[4-(4-heptyl-2-methyl-phenyl)cyclohexyl]-1,3-dithiane Formula: C28H46S2 MolecularWeight: 446.79484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC(=C(C=C1)C2CCC(CC2)C3SCC(CS3)CCCC)C

Isomeric SMILES

CCCCCCCC1=CC(=C(C=C1)C2CCC(CC2)C3SCC(CS3)CCCC)C

InChI

InChI=1S/C28H46S2/c1-4-6-8-9-10-12-23-13-18-27(22(3)19-23)25-14-16-26(17-15-25)28-29-20-24(21-30-28)11-7-5-2/h13,18-19,24-26,28H,4-12,14-17,20-21H2,1-3H3