(E)-2-cyano-3-[4-[2-(4-methylsulfonyloxyphenyl)ethoxy]phenyl]prop-2-enoic acid

Systemtic Name: (E)-2-cyano-3-[4-[2-(4-methylsulfonyloxyphenyl)ethoxy]phenyl]prop-2-enoic acid Openeye Name: (E)-2-cyano-3-[4-[2-(4-methylsulfonyloxyphenyl)ethoxy]phenyl]prop-2-enoic acid CAS Name: (E)-2-cyano-3-[4-[2-(4-methylsulfonyloxyphenyl)ethoxy]phenyl]-2-propenoic acid IUPAC Name: (E)-2-cyano-3-[4-[2-(4-methylsulfonyloxyphenyl)ethoxy]phenyl]prop-2-enoic acid Traditional Name: (E)-2-cyano-3-[4-[2-(4-methylsulfonyloxyphenyl)ethoxy]phenyl]acrylic acid Formula: C19H17NO6S MolecularWeight: 387.40638

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1=CC=C(C=C1)CCOC2=CC=C(C=C2)C=C(C#N)C(=O)O

Isomeric SMILES

CS(=O)(=O)OC1=CC=C(C=C1)CCOC2=CC=C(C=C2)/C=C(\C#N)/C(=O)O

InChI

InChI=1S/C19H17NO6S/c1-27(23,24)26-18-8-2-14(3-9-18)10-11-25-17-6-4-15(5-7-17)12-16(13-20)19(21)22/h2-9,12H,10-11H2,1H3,(H,21,22)/b16-12+