(E)-3-[4-methoxy-3-(2-methylpropoxy)phenyl]-1-(4-methylsulfonylphenyl)prop-2-en-1-one

Systemtic Name: (E)-3-[4-methoxy-3-(2-methylpropoxy)phenyl]-1-(4-methylsulfonylphenyl)prop-2-en-1-one Openeye Name: (E)-3-(3-isobutoxy-4-methoxy-phenyl)-1-(4-methylsulfonylphenyl)prop-2-en-1-one CAS Name: (E)-3-[4-methoxy-3-(2-methylpropoxy)phenyl]-1-(4-methylsulfonylphenyl)-2-propen-1-one IUPAC Name: (E)-3-[4-methoxy-3-(2-methylpropoxy)phenyl]-1-(4-methylsulfonylphenyl)prop-2-en-1-one Traditional Name: (E)-3-(3-isobutoxy-4-methoxy-phenyl)-1-(4-mesylphenyl)prop-2-en-1-one Formula: C21H24O5S MolecularWeight: 388.47726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=CC(=C1)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)C)OC

Isomeric SMILES

CC(C)COC1=C(C=CC(=C1)/C=C/C(=O)C2=CC=C(C=C2)S(=O)(=O)C)OC

InChI

InChI=1S/C21H24O5S/c1-15(2)14-26-21-13-16(6-12-20(21)25-3)5-11-19(22)17-7-9-18(10-8-17)27(4,23)24/h5-13,15H,14H2,1-4H3/b11-5+