sodium; 1-(dioxidanyl)-2-propan-2-yl-benzene; hydrogen sulfite

Systemtic Name: sodium; 1-(dioxidanyl)-2-propan-2-yl-benzene; hydrogen sulfite Openeye Name: sodium; hydrogen sulfite; 1-hydroperoxy-2-isopropyl-benzene CAS Name: sodium; hydrogen sulfite; 1-hydroperoxy-2-propan-2-ylbenzene IUPAC Name: sodium; hydrogen sulfite; 1-hydroperoxy-2-propan-2-ylbenzene Traditional Name: sodium 1-hydroperoxy-2-isopropyl-benzene bisulfite Formula: C9H13NaO5S MolecularWeight: 256.25129

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1OO.OS(=O)[O-].[Na+]

Isomeric SMILES

CC(C)C1=CC=CC=C1OO.OS(=O)[O-].[Na+]

InChI

InChI=1S/C9H12O2.Na.H2O3S/c1-7(2)8-5-3-4-6-9(8)11-10;;1-4(2)3/h3-7,10H,1-2H3;;(H2,1,2,3)/q;+1;/p-1