4,5-bis(bromanyl)-2-[(2S)-3-(4-bromanylphenoxy)-2-oxidanyl-propyl]pyridazin-3-one

Systemtic Name: 4,5-bis(bromanyl)-2-[(2S)-3-(4-bromanylphenoxy)-2-oxidanyl-propyl]pyridazin-3-one Openeye Name: 4,5-dibromo-2-[(2S)-3-(4-bromophenoxy)-2-hydroxy-propyl]pyridazin-3-one CAS Name: 4,5-dibromo-2-[(2S)-3-(4-bromophenoxy)-2-hydroxypropyl]-3-pyridazinone IUPAC Name: 4,5-dibromo-2-[(2S)-3-(4-bromophenoxy)-2-hydroxypropyl]pyridazin-3-one Traditional Name: 4,5-dibromo-2-[(2S)-3-(4-bromophenoxy)-2-hydroxy-propyl]pyridazin-3-one Formula: C13H11Br3N2O3 MolecularWeight: 482.95004

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1OCC(CN2C(=O)C(=C(C=N2)Br)Br)O)Br

Isomeric SMILES

C1=CC(=CC=C1OC[C@H](CN2C(=O)C(=C(C=N2)Br)Br)O)Br

InChI

InChI=1S/C13H11Br3N2O3/c14-8-1-3-10(4-2-8)21-7-9(19)6-18-13(20)12(16)11(15)5-17-18/h1-5,9,19H,6-7H2/t9-/m0/s1