ditert-butyl 2-[(E)-4-bromanylbut-2-enyl]-2-prop-2-ynyl-propanedioate

Systemtic Name: ditert-butyl 2-[(E)-4-bromanylbut-2-enyl]-2-prop-2-ynyl-propanedioate Openeye Name: ditert-butyl 2-[(E)-4-bromobut-2-enyl]-2-prop-2-ynyl-propanedioate CAS Name: 2-[(E)-4-bromobut-2-enyl]-2-prop-2-ynylpropanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-[(E)-4-bromobut-2-enyl]-2-prop-2-ynylpropanedioate Traditional Name: 2-[(E)-4-bromobut-2-enyl]-2-propargyl-malonic acid ditert-butyl ester Formula: C18H27BrO4 MolecularWeight: 387.30858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC=CCBr)(CC#C)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C(C/C=C/CBr)(CC#C)C(=O)OC(C)(C)C

InChI

InChI=1S/C18H27BrO4/c1-8-11-18(12-9-10-13-19,14(20)22-16(2,3)4)15(21)23-17(5,6)7/h1,9-10H,11-13H2,2-7H3/b10-9+