(1S,2S)-1-[3,5-bis(bromanyl)-2-oxidanyl-phenyl]-2-phenoxy-butane-1,4-diol

Systemtic Name: (1S,2S)-1-[3,5-bis(bromanyl)-2-oxidanyl-phenyl]-2-phenoxy-butane-1,4-diol Openeye Name: (1S,2S)-1-(3,5-dibromo-2-hydroxy-phenyl)-2-phenoxy-butane-1,4-diol CAS Name: (1S,2S)-1-(3,5-dibromo-2-hydroxyphenyl)-2-phenoxybutane-1,4-diol IUPAC Name: (1S,2S)-1-(3,5-dibromo-2-hydroxyphenyl)-2-phenoxybutane-1,4-diol Traditional Name: (1S,2S)-1-(3,5-dibromo-2-hydroxy-phenyl)-2-phenoxy-butane-1,4-diol Formula: C16H16Br2O4 MolecularWeight: 432.10384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(CCO)C(C2=CC(=CC(=C2O)Br)Br)O

Isomeric SMILES

C1=CC=C(C=C1)O[C@@H](CCO)[C@H](C2=CC(=CC(=C2O)Br)Br)O

InChI

InChI=1S/C16H16Br2O4/c17-10-8-12(15(20)13(18)9-10)16(21)14(6-7-19)22-11-4-2-1-3-5-11/h1-5,8-9,14,16,19-21H,6-7H2/t14-,16-/m0/s1