[4-[3-[4-(4-ethyl-2,3-dimethyl-4-oxidanyl-hexyl)-3-methyl-phenyl]pentan-3-yl]phenyl] methanesulfonate

Systemtic Name: [4-[3-[4-(4-ethyl-2,3-dimethyl-4-oxidanyl-hexyl)-3-methyl-phenyl]pentan-3-yl]phenyl] methanesulfonate Openeye Name: [4-[1-ethyl-1-[4-(4-ethyl-4-hydroxy-2,3-dimethyl-hexyl)-3-methyl-phenyl]propyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[3-[4-(4-ethyl-4-hydroxy-2,3-dimethylhexyl)-3-methylphenyl]pentan-3-yl]phenyl] ester IUPAC Name: [4-[3-[4-(4-ethyl-4-hydroxy-2,3-dimethylhexyl)-3-methylphenyl]pentan-3-yl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[1-ethyl-1-[4-(4-ethyl-4-hydroxy-2,3-dimethyl-hexyl)-3-methyl-phenyl]propyl]phenyl] ester Formula: C29H44O4S MolecularWeight: 488.72226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC=C(C=C1)OS(=O)(=O)C)C2=CC(=C(C=C2)CC(C)C(C)C(CC)(CC)O)C

Isomeric SMILES

CCC(CC)(C1=CC=C(C=C1)OS(=O)(=O)C)C2=CC(=C(C=C2)CC(C)C(C)C(CC)(CC)O)C

InChI

InChI=1S/C29H44O4S/c1-9-28(10-2,25-15-17-27(18-16-25)33-34(8,31)32)26-14-13-24(22(6)20-26)19-21(5)23(7)29(30,11-3)12-4/h13-18,20-21,23,30H,9-12,19H2,1-8H3