dimethyl (2S)-2-[(4-bromophenyl)methyl]butanedioate

Systemtic Name: dimethyl (2S)-2-[(4-bromophenyl)methyl]butanedioate Openeye Name: dimethyl (2S)-2-[(4-bromophenyl)methyl]butanedioate CAS Name: (2S)-2-[(4-bromophenyl)methyl]butanedioic acid dimethyl ester IUPAC Name: dimethyl (2S)-2-[(4-bromophenyl)methyl]butanedioate Traditional Name: (2S)-2-(4-bromobenzyl)succinic acid dimethyl ester Formula: C13H15BrO4 MolecularWeight: 315.1598

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CC1=CC=C(C=C1)Br)C(=O)OC

Isomeric SMILES

COC(=O)C[C@H](CC1=CC=C(C=C1)Br)C(=O)OC

InChI

InChI=1S/C13H15BrO4/c1-17-12(15)8-10(13(16)18-2)7-9-3-5-11(14)6-4-9/h3-6,10H,7-8H2,1-2H3/t10-/m0/s1