2-(3,3-dimethylbut-1-ynyl)-3-(4-methylsulfonylphenyl)cyclopent-2-en-1-one

Systemtic Name: 2-(3,3-dimethylbut-1-ynyl)-3-(4-methylsulfonylphenyl)cyclopent-2-en-1-one Openeye Name: 2-(3,3-dimethylbut-1-ynyl)-3-(4-methylsulfonylphenyl)cyclopent-2-en-1-one CAS Name: 2-(3,3-dimethylbut-1-ynyl)-3-(4-methylsulfonylphenyl)-1-cyclopent-2-enone IUPAC Name: 2-(3,3-dimethylbut-1-ynyl)-3-(4-methylsulfonylphenyl)cyclopent-2-en-1-one Traditional Name: 2-(3,3-dimethylbut-1-ynyl)-3-(4-mesylphenyl)cyclopent-2-en-1-one Formula: C18H20O3S MolecularWeight: 316.4146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C#CC1=C(CCC1=O)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)C#CC1=C(CCC1=O)C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C18H20O3S/c1-18(2,3)12-11-16-15(9-10-17(16)19)13-5-7-14(8-6-13)22(4,20)21/h5-8H,9-10H2,1-4H3