(E)-3-(3-methylsulfonylphenyl)-2-phenyl-but-2-enoic acid

Systemtic Name: (E)-3-(3-methylsulfonylphenyl)-2-phenyl-but-2-enoic acid Openeye Name: (E)-3-(3-methylsulfonylphenyl)-2-phenyl-but-2-enoic acid CAS Name: (E)-3-(3-methylsulfonylphenyl)-2-phenyl-2-butenoic acid IUPAC Name: (E)-3-(3-methylsulfonylphenyl)-2-phenylbut-2-enoic acid Traditional Name: (E)-3-(3-mesylphenyl)-2-phenyl-but-2-enoic acid Formula: C17H16O4S MolecularWeight: 316.37154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16O4S/c1-12(14-9-6-10-15(11-14)22(2,20)21)16(17(18)19)13-7-4-3-5-8-13/h3-11H,1-2H3,(H,18,19)/b16-12+