4,4-dimethyl-3-(4-methylsulfonylphenyl)-2-propoxy-cyclopent-2-en-1-one

Systemtic Name: 4,4-dimethyl-3-(4-methylsulfonylphenyl)-2-propoxy-cyclopent-2-en-1-one Openeye Name: 4,4-dimethyl-3-(4-methylsulfonylphenyl)-2-propoxy-cyclopent-2-en-1-one CAS Name: 4,4-dimethyl-3-(4-methylsulfonylphenyl)-2-propoxy-1-cyclopent-2-enone IUPAC Name: 4,4-dimethyl-3-(4-methylsulfonylphenyl)-2-propoxycyclopent-2-en-1-one Traditional Name: 3-(4-mesylphenyl)-4,4-dimethyl-2-propoxy-cyclopent-2-en-1-one Formula: C17H22O4S MolecularWeight: 322.41918

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C(CC1=O)(C)C)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CCCOC1=C(C(CC1=O)(C)C)C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C17H22O4S/c1-5-10-21-16-14(18)11-17(2,3)15(16)12-6-8-13(9-7-12)22(4,19)20/h6-9H,5,10-11H2,1-4H3