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

Systemtic Name: [4-[3-[4-(3,3-dimethyl-2-oxidanylidene-butoxy)-3-methyl-phenyl]pentan-3-yl]phenyl] methanesulfonate Openeye Name: [4-[1-[4-(3,3-dimethyl-2-oxo-butoxy)-3-methyl-phenyl]-1-ethyl-propyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[3-[4-(3,3-dimethyl-2-oxobutoxy)-3-methylphenyl]pentan-3-yl]phenyl] ester IUPAC Name: [4-[3-[4-(3,3-dimethyl-2-oxobutoxy)-3-methylphenyl]pentan-3-yl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[1-ethyl-1-[4-(2-keto-3,3-dimethyl-butoxy)-3-methyl-phenyl]propyl]phenyl] ester Formula: C25H34O5S MolecularWeight: 446.59946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34O5S/c1-8-25(9-2,19-10-13-21(14-11-19)30-31(7,27)28)20-12-15-22(18(3)16-20)29-17-23(26)24(4,5)6/h10-16H,8-9,17H2,1-7H3