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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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