[4,4-dimethyl-3-(4-methylsulfonylphenyl)-2-phenyl-cyclobut-2-en-1-yl] ethanoate

Systemtic Name: [4,4-dimethyl-3-(4-methylsulfonylphenyl)-2-phenyl-cyclobut-2-en-1-yl] ethanoate Openeye Name: [4,4-dimethyl-3-(4-methylsulfonylphenyl)-2-phenyl-cyclobut-2-en-1-yl] acetate CAS Name: acetic acid [4,4-dimethyl-3-(4-methylsulfonylphenyl)-2-phenyl-1-cyclobut-2-enyl] ester IUPAC Name: [4,4-dimethyl-3-(4-methylsulfonylphenyl)-2-phenylcyclobut-2-en-1-yl] acetate Traditional Name: acetic acid [3-(4-mesylphenyl)-4,4-dimethyl-2-phenyl-cyclobut-2-en-1-yl] ester Formula: C21H22O4S MolecularWeight: 370.46198

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(=C(C1(C)C)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=CC=C3

Isomeric SMILES

CC(=O)OC1C(=C(C1(C)C)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C21H22O4S/c1-14(22)25-20-18(15-8-6-5-7-9-15)19(21(20,2)3)16-10-12-17(13-11-16)26(4,23)24/h5-13,20H,1-4H3