1-(4-methoxy-3-oxidanyl-phenyl)-3-(4-methylsulfonylphenyl)prop-2-yn-1-one

Systemtic Name: 1-(4-methoxy-3-oxidanyl-phenyl)-3-(4-methylsulfonylphenyl)prop-2-yn-1-one Openeye Name: 1-(3-hydroxy-4-methoxy-phenyl)-3-(4-methylsulfonylphenyl)prop-2-yn-1-one CAS Name: 1-(3-hydroxy-4-methoxyphenyl)-3-(4-methylsulfonylphenyl)-2-propyn-1-one IUPAC Name: 1-(3-hydroxy-4-methoxyphenyl)-3-(4-methylsulfonylphenyl)prop-2-yn-1-one Traditional Name: 1-(3-hydroxy-4-methoxy-phenyl)-3-(4-mesylphenyl)prop-2-yn-1-one Formula: C17H14O5S MolecularWeight: 330.35506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C#CC2=CC=C(C=C2)S(=O)(=O)C)O

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)C#CC2=CC=C(C=C2)S(=O)(=O)C)O

InChI

InChI=1S/C17H14O5S/c1-22-17-10-6-13(11-16(17)19)15(18)9-5-12-3-7-14(8-4-12)23(2,20)21/h3-4,6-8,10-11,19H,1-2H3