(2E)-2-[2-(4-methylsulfonylphenyl)-4-oxidanylidene-3-phenyl-cyclobut-2-en-1-ylidene]propanoic acid

Systemtic Name: (2E)-2-[2-(4-methylsulfonylphenyl)-4-oxidanylidene-3-phenyl-cyclobut-2-en-1-ylidene]propanoic acid Openeye Name: (2E)-2-[2-(4-methylsulfonylphenyl)-4-oxo-3-phenyl-cyclobut-2-en-1-ylidene]propanoic acid CAS Name: (2E)-2-[2-(4-methylsulfonylphenyl)-4-oxo-3-phenyl-1-cyclobut-2-enylidene]propanoic acid IUPAC Name: (2E)-2-[2-(4-methylsulfonylphenyl)-4-oxo-3-phenylcyclobut-2-en-1-ylidene]propanoic acid Traditional Name: (2E)-2-[4-keto-2-(4-mesylphenyl)-3-phenyl-cyclobut-2-en-1-ylidene]propionic acid Formula: C20H16O5S MolecularWeight: 368.40304

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C(=C(C1=O)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)C)C(=O)O

Isomeric SMILES

C/C(=C\1/C(=C(C1=O)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)C)/C(=O)O

InChI

InChI=1S/C20H16O5S/c1-12(20(22)23)16-17(14-8-10-15(11-9-14)26(2,24)25)18(19(16)21)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,22,23)/b16-12+