[(2R)-2-[(1S)-2-[(4-bromophenyl)methoxy]-1-oxidanyl-ethyl]pent-4-enyl] benzoate

Systemtic Name: [(2R)-2-[(1S)-2-[(4-bromophenyl)methoxy]-1-oxidanyl-ethyl]pent-4-enyl] benzoate Openeye Name: [(2R)-2-[(1S)-2-[(4-bromophenyl)methoxy]-1-hydroxy-ethyl]pent-4-enyl] benzoate CAS Name: benzoic acid [(2R)-2-[(1S)-2-[(4-bromophenyl)methoxy]-1-hydroxyethyl]pent-4-enyl] ester IUPAC Name: [(2R)-2-[(1S)-2-[(4-bromophenyl)methoxy]-1-hydroxyethyl]pent-4-enyl] benzoate Traditional Name: benzoic acid [(2R)-2-[(1S)-2-(4-bromobenzyl)oxy-1-hydroxy-ethyl]pent-4-enyl] ester Formula: C21H23BrO4 MolecularWeight: 419.30892

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(COC(=O)C1=CC=CC=C1)C(COCC2=CC=C(C=C2)Br)O

Isomeric SMILES

C=CC[C@H](COC(=O)C1=CC=CC=C1)[C@@H](COCC2=CC=C(C=C2)Br)O

InChI

InChI=1S/C21H23BrO4/c1-2-6-18(14-26-21(24)17-7-4-3-5-8-17)20(23)15-25-13-16-9-11-19(22)12-10-16/h2-5,7-12,18,20,23H,1,6,13-15H2/t18-,20-/m1/s1