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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)C(CC)(CC)C2=CC=C(C=C2)OS(=O)(=O)C)OCC(=O)C(C)(C)C

Isomeric SMILES

CCC1=C(C=CC(=C1)C(CC)(CC)C2=CC=C(C=C2)OS(=O)(=O)C)OCC(=O)C(C)(C)C

InChI

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