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

Systemtic Name: [4-[3-[4-(2,4-dimethyl-4-oxidanyl-hexyl)-3-methyl-phenyl]pentan-3-yl]-2-methyl-phenyl] methanesulfonate Openeye Name: [4-[1-ethyl-1-[4-(4-hydroxy-2,4-dimethyl-hexyl)-3-methyl-phenyl]propyl]-2-methyl-phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[3-[4-(4-hydroxy-2,4-dimethylhexyl)-3-methylphenyl]pentan-3-yl]-2-methylphenyl] ester IUPAC Name: [4-[3-[4-(4-hydroxy-2,4-dimethylhexyl)-3-methylphenyl]pentan-3-yl]-2-methylphenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[1-ethyl-1-[4-(4-hydroxy-2,4-dimethyl-hexyl)-3-methyl-phenyl]propyl]-2-methyl-phenyl] ester Formula: C28H42O4S MolecularWeight: 474.69568

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(CC(C)CC1=C(C=C(C=C1)C(CC)(CC)C2=CC(=C(C=C2)OS(=O)(=O)C)C)C)O

Isomeric SMILES

CCC(C)(CC(C)CC1=C(C=C(C=C1)C(CC)(CC)C2=CC(=C(C=C2)OS(=O)(=O)C)C)C)O

InChI

InChI=1S/C28H42O4S/c1-9-27(7,29)19-20(4)16-23-12-13-24(17-21(23)5)28(10-2,11-3)25-14-15-26(22(6)18-25)32-33(8,30)31/h12-15,17-18,20,29H,9-11,16,19H2,1-8H3