[(2S)-1-bromanyl-11-phenylmethoxy-undecan-2-yl] (2S)-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: [(2S)-1-bromanyl-11-phenylmethoxy-undecan-2-yl] (2S)-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [(1S)-10-benzyloxy-1-(bromomethyl)decyl] (2S)-2-hydroxy-2-phenyl-acetate CAS Name: (2S)-2-hydroxy-2-phenylacetic acid [(2S)-1-bromo-11-phenylmethoxyundecan-2-yl] ester IUPAC Name: [(2S)-1-bromo-11-phenylmethoxyundecan-2-yl] (2S)-2-hydroxy-2-phenylacetate Traditional Name: (2S)-2-hydroxy-2-phenyl-acetic acid [(1S)-10-benzoxy-1-(bromomethyl)decyl] ester Formula: C26H35BrO4 MolecularWeight: 491.4577

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCCCCCCCCCC(CBr)OC(=O)C(C2=CC=CC=C2)O

Isomeric SMILES

C1=CC=C(C=C1)COCCCCCCCCC[C@@H](CBr)OC(=O)[C@H](C2=CC=CC=C2)O

InChI

InChI=1S/C26H35BrO4/c27-20-24(31-26(29)25(28)23-16-10-7-11-17-23)18-12-4-2-1-3-5-13-19-30-21-22-14-8-6-9-15-22/h6-11,14-17,24-25,28H,1-5,12-13,18-21H2/t24-,25-/m0/s1