butyl (E)-3-[4-(2,5-dimethylphenyl)sulfonyloxy-3-methoxy-phenyl]prop-2-enoate

Systemtic Name: butyl (E)-3-[4-(2,5-dimethylphenyl)sulfonyloxy-3-methoxy-phenyl]prop-2-enoate Openeye Name: butyl (E)-3-[4-(2,5-dimethylphenyl)sulfonyloxy-3-methoxy-phenyl]prop-2-enoate CAS Name: (E)-3-[4-(2,5-dimethylphenyl)sulfonyloxy-3-methoxyphenyl]-2-propenoic acid butyl ester IUPAC Name: butyl (E)-3-[4-(2,5-dimethylphenyl)sulfonyloxy-3-methoxyphenyl]prop-2-enoate Traditional Name: (E)-3-[4-(2,5-dimethylphenyl)sulfonyloxy-3-methoxy-phenyl]acrylic acid butyl ester Formula: C22H26O6S MolecularWeight: 418.50324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C=CC1=CC(=C(C=C1)OS(=O)(=O)C2=C(C=CC(=C2)C)C)OC

Isomeric SMILES

CCCCOC(=O)/C=C/C1=CC(=C(C=C1)OS(=O)(=O)C2=C(C=CC(=C2)C)C)OC

InChI

InChI=1S/C22H26O6S/c1-5-6-13-27-22(23)12-10-18-9-11-19(20(15-18)26-4)28-29(24,25)21-14-16(2)7-8-17(21)3/h7-12,14-15H,5-6,13H2,1-4H3/b12-10+