O1-ethyl O2,O3-dimethyl (3S,4S)-4-(4-bromophenyl)carbonylcyclobutene-1,2,3-tricarboxylate

Systemtic Name: O1-ethyl O2,O3-dimethyl (3S,4S)-4-(4-bromophenyl)carbonylcyclobutene-1,2,3-tricarboxylate Openeye Name: O1-ethyl O2,O3-dimethyl (3S,4S)-4-(4-bromobenzoyl)cyclobutene-1,2,3-tricarboxylate CAS Name: (3S,4S)-4-[(4-bromophenyl)-oxomethyl]cyclobutene-1,2,3-tricarboxylic acid O1-ethyl ester O2,O3-dimethyl ester IUPAC Name: 1-O-ethyl 2-O,3-O-dimethyl (3S,4S)-4-(4-bromobenzoyl)cyclobutene-1,2,3-tricarboxylate Traditional Name: (3S,4S)-4-(4-bromobenzoyl)cyclobutene-1,2,3-tricarboxylic acid O1-ethyl ester O2,O3-dimethyl ester Formula: C18H17BrO7 MolecularWeight: 425.22738

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(C1C(=O)C2=CC=C(C=C2)Br)C(=O)OC)C(=O)OC

Isomeric SMILES

CCOC(=O)C1=C([C@H]([C@@H]1C(=O)C2=CC=C(C=C2)Br)C(=O)OC)C(=O)OC

InChI

InChI=1S/C18H17BrO7/c1-4-26-18(23)13-11(15(20)9-5-7-10(19)8-6-9)12(16(21)24-2)14(13)17(22)25-3/h5-8,11-12H,4H2,1-3H3/t11-,12-/m0/s1