(E)-2-cyano-3-[3-methoxy-4-(4-methylphenyl)sulfonyloxy-phenyl]prop-2-enoic acid

Systemtic Name: (E)-2-cyano-3-[3-methoxy-4-(4-methylphenyl)sulfonyloxy-phenyl]prop-2-enoic acid Openeye Name: (E)-2-cyano-3-[3-methoxy-4-(p-tolylsulfonyloxy)phenyl]prop-2-enoic acid CAS Name: (E)-2-cyano-3-[3-methoxy-4-(4-methylphenyl)sulfonyloxyphenyl]-2-propenoic acid IUPAC Name: (E)-2-cyano-3-[3-methoxy-4-(4-methylphenyl)sulfonyloxyphenyl]prop-2-enoic acid Traditional Name: (E)-2-cyano-3-(3-methoxy-4-tosyloxy-phenyl)acrylic acid Formula: C18H15NO6S MolecularWeight: 373.3798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)O)OC

InChI

InChI=1S/C18H15NO6S/c1-12-3-6-15(7-4-12)26(22,23)25-16-8-5-13(10-17(16)24-2)9-14(11-19)18(20)21/h3-10H,1-2H3,(H,20,21)/b14-9+