(Z)-3-[(6-bromanyl-1,3-benzodioxol-5-yl)-oxidanyl-methyl]-4-iodanyl-but-3-en-2-one

Systemtic Name: (Z)-3-[(6-bromanyl-1,3-benzodioxol-5-yl)-oxidanyl-methyl]-4-iodanyl-but-3-en-2-one Openeye Name: (Z)-3-[(6-bromo-1,3-benzodioxol-5-yl)-hydroxy-methyl]-4-iodo-but-3-en-2-one CAS Name: (Z)-3-[(6-bromo-1,3-benzodioxol-5-yl)-hydroxymethyl]-4-iodo-3-buten-2-one IUPAC Name: (Z)-3-[(6-bromo-1,3-benzodioxol-5-yl)-hydroxymethyl]-4-iodobut-3-en-2-one Traditional Name: (Z)-3-[(6-bromo-1,3-benzodioxol-5-yl)-hydroxy-methyl]-4-iodo-but-3-en-2-one Formula: C12H10BrIO4 MolecularWeight: 425.01387

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CI)C(C1=CC2=C(C=C1Br)OCO2)O

Isomeric SMILES

CC(=O)/C(=C\I)/C(C1=CC2=C(C=C1Br)OCO2)O

InChI

InChI=1S/C12H10BrIO4/c1-6(15)8(4-14)12(16)7-2-10-11(3-9(7)13)18-5-17-10/h2-4,12,16H,5H2,1H3/b8-4+