(E)-3-(3-chloranyl-5-methoxy-4-prop-2-ynoxy-phenyl)-1-(4-methylsulfonylphenyl)prop-2-en-1-one

Systemtic Name: (E)-3-(3-chloranyl-5-methoxy-4-prop-2-ynoxy-phenyl)-1-(4-methylsulfonylphenyl)prop-2-en-1-one Openeye Name: (E)-3-(3-chloro-5-methoxy-4-prop-2-ynoxy-phenyl)-1-(4-methylsulfonylphenyl)prop-2-en-1-one CAS Name: (E)-3-(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)-1-(4-methylsulfonylphenyl)-2-propen-1-one IUPAC Name: (E)-3-(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)-1-(4-methylsulfonylphenyl)prop-2-en-1-one Traditional Name: (E)-3-(3-chloro-5-methoxy-4-propargyloxy-phenyl)-1-(4-mesylphenyl)prop-2-en-1-one Formula: C20H17ClO5S MolecularWeight: 404.86398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)C2=CC=C(C=C2)S(=O)(=O)C)Cl)OCC#C

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)C2=CC=C(C=C2)S(=O)(=O)C)Cl)OCC#C

InChI

InChI=1S/C20H17ClO5S/c1-4-11-26-20-17(21)12-14(13-19(20)25-2)5-10-18(22)15-6-8-16(9-7-15)27(3,23)24/h1,5-10,12-13H,11H2,2-3H3/b10-5+