sodium; 3-(4-bromophenyl)-3-oxidanylidene-propanal; hydrogen sulfite

Systemtic Name: sodium; 3-(4-bromophenyl)-3-oxidanylidene-propanal; hydrogen sulfite Openeye Name: sodium; 3-(4-bromophenyl)-3-oxo-propanal; hydrogen sulfite CAS Name: sodium; 3-(4-bromophenyl)-3-oxopropanal; hydrogen sulfite IUPAC Name: sodium; 3-(4-bromophenyl)-3-oxopropanal; hydrogen sulfite Traditional Name: sodium 3-(4-bromophenyl)-3-keto-propionaldehyde bisulfite Formula: C9H8BrNaO5S MolecularWeight: 331.11559

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CC=O)Br.OS(=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=CC=C1C(=O)CC=O)Br.OS(=O)[O-].[Na+]

InChI

InChI=1S/C9H7BrO2.Na.H2O3S/c10-8-3-1-7(2-4-8)9(12)5-6-11;;1-4(2)3/h1-4,6H,5H2;;(H2,1,2,3)/q;+1;/p-1