O1-[2-(bromomethyl)butyl] O4-tert-butyl (E)-but-2-enedioate

Systemtic Name: O1-[2-(bromomethyl)butyl] O4-tert-butyl (E)-but-2-enedioate Openeye Name: O1-[2-(bromomethyl)butyl] O4-tert-butyl (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O1-[2-(bromomethyl)butyl] ester O4-tert-butyl ester IUPAC Name: 1-O-[2-(bromomethyl)butyl] 4-O-tert-butyl (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O1-[2-(bromomethyl)butyl] ester O4-tert-butyl ester Formula: C13H21BrO4 MolecularWeight: 321.20744

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COC(=O)C=CC(=O)OC(C)(C)C)CBr

Isomeric SMILES

CCC(COC(=O)/C=C/C(=O)OC(C)(C)C)CBr

InChI

InChI=1S/C13H21BrO4/c1-5-10(8-14)9-17-11(15)6-7-12(16)18-13(2,3)4/h6-7,10H,5,8-9H2,1-4H3/b7-6+