2-phenylselanylethyl (E)-3-(3,4-diacetyloxyphenyl)prop-2-enoate

Systemtic Name: 2-phenylselanylethyl (E)-3-(3,4-diacetyloxyphenyl)prop-2-enoate Openeye Name: 2-phenylselanylethyl (E)-3-(3,4-diacetoxyphenyl)prop-2-enoate CAS Name: (E)-3-(3,4-diacetyloxyphenyl)-2-propenoic acid 2-(phenylseleno)ethyl ester IUPAC Name: 2-phenylselanylethyl (E)-3-(3,4-diacetyloxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3,4-diacetoxyphenyl)acrylic acid 2-(phenylseleno)ethyl ester Formula: C21H20O6Se MolecularWeight: 447.3399

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)C=CC(=O)OCC[Se]C2=CC=CC=C2)OC(=O)C

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)/C=C/C(=O)OCC[Se]C2=CC=CC=C2)OC(=O)C

InChI

InChI=1S/C21H20O6Se/c1-15(22)26-19-10-8-17(14-20(19)27-16(2)23)9-11-21(24)25-12-13-28-18-6-4-3-5-7-18/h3-11,14H,12-13H2,1-2H3/b11-9+