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

Systemtic Name: 5-butyl-2-[4-(2-methyl-4-pentyl-phenyl)cyclohexyl]-1,3-dithiane Openeye Name: 5-butyl-2-[4-(2-methyl-4-pentyl-phenyl)cyclohexyl]-1,3-dithiane CAS Name: 5-butyl-2-[4-(2-methyl-4-pentylphenyl)cyclohexyl]-1,3-dithiane IUPAC Name: 5-butyl-2-[4-(2-methyl-4-pentylphenyl)cyclohexyl]-1,3-dithiane Traditional Name: 2-[4-(4-amyl-2-methyl-phenyl)cyclohexyl]-5-butyl-1,3-dithiane Formula: C26H42S2 MolecularWeight: 418.74168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C=C1)C2CCC(CC2)C3SCC(CS3)CCCC)C

Isomeric SMILES

CCCCCC1=CC(=C(C=C1)C2CCC(CC2)C3SCC(CS3)CCCC)C

InChI

InChI=1S/C26H42S2/c1-4-6-8-10-21-11-16-25(20(3)17-21)23-12-14-24(15-13-23)26-27-18-22(19-28-26)9-7-5-2/h11,16-17,22-24,26H,4-10,12-15,18-19H2,1-3H3