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

Systemtic Name: [4-[3-[4-(3,3-dimethyl-2-oxidanylidene-butoxy)-3-methyl-phenyl]pentan-3-yl]-2-methyl-phenyl] methanesulfonate Openeye Name: [4-[1-[4-(3,3-dimethyl-2-oxo-butoxy)-3-methyl-phenyl]-1-ethyl-propyl]-2-methyl-phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[3-[4-(3,3-dimethyl-2-oxobutoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenyl] ester IUPAC Name: [4-[3-[4-(3,3-dimethyl-2-oxobutoxy)-3-methylphenyl]pentan-3-yl]-2-methylphenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[1-ethyl-1-[4-(2-keto-3,3-dimethyl-butoxy)-3-methyl-phenyl]propyl]-2-methyl-phenyl] ester Formula: C26H36O5S MolecularWeight: 460.62604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H36O5S/c1-9-26(10-2,21-12-14-23(19(4)16-21)31-32(8,28)29)20-11-13-22(18(3)15-20)30-17-24(27)25(5,6)7/h11-16H,9-10,17H2,1-8H3