(E)-2-(3-bromophenyl)-3-(4-methylsulfonylphenyl)prop-2-enoic acid

Systemtic Name: (E)-2-(3-bromophenyl)-3-(4-methylsulfonylphenyl)prop-2-enoic acid Openeye Name: (E)-2-(3-bromophenyl)-3-(4-methylsulfonylphenyl)prop-2-enoic acid CAS Name: (E)-2-(3-bromophenyl)-3-(4-methylsulfonylphenyl)-2-propenoic acid IUPAC Name: (E)-2-(3-bromophenyl)-3-(4-methylsulfonylphenyl)prop-2-enoic acid Traditional Name: (E)-2-(3-bromophenyl)-3-(4-mesylphenyl)acrylic acid Formula: C16H13BrO4S MolecularWeight: 381.24102

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C=C(C2=CC(=CC=C2)Br)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)/C=C(\C2=CC(=CC=C2)Br)/C(=O)O

InChI

InChI=1S/C16H13BrO4S/c1-22(20,21)14-7-5-11(6-8-14)9-15(16(18)19)12-3-2-4-13(17)10-12/h2-10H,1H3,(H,18,19)/b15-9+