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

Systemtic Name: [4-[3-[4-(3,3-dimethyl-2-oxidanyl-butoxy)phenyl]pentan-3-yl]-2-methyl-phenyl] methanesulfonate Openeye Name: [4-[1-ethyl-1-[4-(2-hydroxy-3,3-dimethyl-butoxy)phenyl]propyl]-2-methyl-phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)phenyl]pentan-3-yl]-2-methylphenyl] ester IUPAC Name: [4-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)phenyl]pentan-3-yl]-2-methylphenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[1-ethyl-1-[4-(2-hydroxy-3,3-dimethyl-butoxy)phenyl]propyl]-2-methyl-phenyl] ester Formula: C25H36O5S MolecularWeight: 448.61534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36O5S/c1-8-25(9-2,20-12-15-22(18(3)16-20)30-31(7,27)28)19-10-13-21(14-11-19)29-17-23(26)24(4,5)6/h10-16,23,26H,8-9,17H2,1-7H3