(2-bromanyl-11-phenylmethoxy-undecyl) (2S)-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: (2-bromanyl-11-phenylmethoxy-undecyl) (2S)-2-oxidanyl-2-phenyl-ethanoate Openeye Name: (11-benzyloxy-2-bromo-undecyl) (2S)-2-hydroxy-2-phenyl-acetate CAS Name: (2S)-2-hydroxy-2-phenylacetic acid (2-bromo-11-phenylmethoxyundecyl) ester IUPAC Name: (2-bromo-11-phenylmethoxyundecyl) (2S)-2-hydroxy-2-phenylacetate Traditional Name: (2S)-2-hydroxy-2-phenyl-acetic acid (11-benzoxy-2-bromo-undecyl) ester Formula: C26H35BrO4 MolecularWeight: 491.4577

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCCCCCCCCCC(COC(=O)C(C2=CC=CC=C2)O)Br

Isomeric SMILES

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

InChI

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