2-[3,4-bis(fluoranyl)phenyl]-4,4-dimethyl-3-(4-methylsulfonylphenyl)cyclobut-2-en-1-one

Systemtic Name: 2-[3,4-bis(fluoranyl)phenyl]-4,4-dimethyl-3-(4-methylsulfonylphenyl)cyclobut-2-en-1-one Openeye Name: 2-(3,4-difluorophenyl)-4,4-dimethyl-3-(4-methylsulfonylphenyl)cyclobut-2-en-1-one CAS Name: 2-(3,4-difluorophenyl)-4,4-dimethyl-3-(4-methylsulfonylphenyl)-1-cyclobut-2-enone IUPAC Name: 2-(3,4-difluorophenyl)-4,4-dimethyl-3-(4-methylsulfonylphenyl)cyclobut-2-en-1-one Traditional Name: 2-(3,4-difluorophenyl)-3-(4-mesylphenyl)-4,4-dimethyl-cyclobut-2-en-1-one Formula: C19H16F2O3S MolecularWeight: 362.390346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=C(C1=O)C2=CC(=C(C=C2)F)F)C3=CC=C(C=C3)S(=O)(=O)C)C

Isomeric SMILES

CC1(C(=C(C1=O)C2=CC(=C(C=C2)F)F)C3=CC=C(C=C3)S(=O)(=O)C)C

InChI

InChI=1S/C19H16F2O3S/c1-19(2)17(11-4-7-13(8-5-11)25(3,23)24)16(18(19)22)12-6-9-14(20)15(21)10-12/h4-10H,1-3H3