(E)-3-[3-(4-methylsulfonylphenyl)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-(4-methylsulfonylphenyl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-(4-methylsulfonylphenyl)phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-(4-methylsulfonylphenyl)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-(4-methylsulfonylphenyl)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-(4-mesylphenyl)phenyl]acrylic acid Formula: C16H14O4S MolecularWeight: 302.34496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14O4S/c1-21(19,20)15-8-6-13(7-9-15)14-4-2-3-12(11-14)5-10-16(17)18/h2-11H,1H3,(H,17,18)/b10-5+