sodium; 2-(3,3-dimethyloctoxy)ethoxybenzene; hydrogen sulfite

Systemtic Name: sodium; 2-(3,3-dimethyloctoxy)ethoxybenzene; hydrogen sulfite Openeye Name: sodium; 2-(3,3-dimethyloctoxy)ethoxybenzene; hydrogen sulfite CAS Name: sodium; 2-(3,3-dimethyloctoxy)ethoxybenzene; hydrogen sulfite IUPAC Name: sodium; 2-(3,3-dimethyloctoxy)ethoxybenzene; hydrogen sulfite Traditional Name: sodium 2-(3,3-dimethyloctoxy)ethoxybenzene bisulfite Formula: C18H31NaO5S MolecularWeight: 382.49051

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)CCOCCOC1=CC=CC=C1.OS(=O)[O-].[Na+]

Isomeric SMILES

CCCCCC(C)(C)CCOCCOC1=CC=CC=C1.OS(=O)[O-].[Na+]

InChI

InChI=1S/C18H30O2.Na.H2O3S/c1-4-5-9-12-18(2,3)13-14-19-15-16-20-17-10-7-6-8-11-17;;1-4(2)3/h6-8,10-11H,4-5,9,12-16H2,1-3H3;;(H2,1,2,3)/q;+1;/p-1