[2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl] (E)-3-(4-bromophenyl)prop-2-enoate

Systemtic Name: [2-(4-tert-butylphenyl)-2-oxidanylidene-ethyl] (E)-3-(4-bromophenyl)prop-2-enoate Openeye Name: [2-(4-tert-butylphenyl)-2-oxo-ethyl] (E)-3-(4-bromophenyl)prop-2-enoate CAS Name: (E)-3-(4-bromophenyl)-2-propenoic acid [2-(4-tert-butylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-tert-butylphenyl)-2-oxoethyl] (E)-3-(4-bromophenyl)prop-2-enoate Traditional Name: (E)-3-(4-bromophenyl)acrylic acid [2-(4-tert-butylphenyl)-2-keto-ethyl] ester Formula: C21H21BrO3 MolecularWeight: 401.29364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)COC(=O)C=CC2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)COC(=O)/C=C/C2=CC=C(C=C2)Br

InChI

InChI=1S/C21H21BrO3/c1-21(2,3)17-9-7-16(8-10-17)19(23)14-25-20(24)13-6-15-4-11-18(22)12-5-15/h4-13H,14H2,1-3H3/b13-6+