sodium; hydrogen sulfite; 3-oxidanylidene-3-(4-propan-2-ylphenyl)propanal

Systemtic Name: sodium; hydrogen sulfite; 3-oxidanylidene-3-(4-propan-2-ylphenyl)propanal Openeye Name: sodium; hydrogen sulfite; 3-(4-isopropylphenyl)-3-oxo-propanal CAS Name: sodium; hydrogen sulfite; 3-oxo-3-(4-propan-2-ylphenyl)propanal IUPAC Name: sodium; hydrogen sulfite; 3-oxo-3-(4-propan-2-ylphenyl)propanal Traditional Name: sodium 3-keto-3-p-cumenyl-propionaldehyde bisulfite Formula: C12H15NaO5S MolecularWeight: 294.29927

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14O2.Na.H2O3S/c1-9(2)10-3-5-11(6-4-10)12(14)7-8-13;;1-4(2)3/h3-6,8-9H,7H2,1-2H3;;(H2,1,2,3)/q;+1;/p-1