sodium; 1-(1,2-diethoxyethoxy)-4-(2-methylheptan-2-yl)benzene; hydrogen sulfite

Systemtic Name: sodium; 1-(1,2-diethoxyethoxy)-4-(2-methylheptan-2-yl)benzene; hydrogen sulfite Openeye Name: sodium; 1-(1,2-diethoxyethoxy)-4-(1,1-dimethylhexyl)benzene; hydrogen sulfite CAS Name: sodium; 1-(1,2-diethoxyethoxy)-4-(2-methylheptan-2-yl)benzene; hydrogen sulfite IUPAC Name: sodium; 1-(1,2-diethoxyethoxy)-4-(2-methylheptan-2-yl)benzene; hydrogen sulfite Traditional Name: sodium 1-(1,2-diethoxyethoxy)-4-(1,1-dimethylhexyl)benzene bisulfite Formula: C20H35NaO6S MolecularWeight: 426.54307

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)C1=CC=C(C=C1)OC(COCC)OCC.OS(=O)[O-].[Na+]

Isomeric SMILES

CCCCCC(C)(C)C1=CC=C(C=C1)OC(COCC)OCC.OS(=O)[O-].[Na+]

InChI

InChI=1S/C20H34O3.Na.H2O3S/c1-6-9-10-15-20(4,5)17-11-13-18(14-12-17)23-19(22-8-3)16-21-7-2;;1-4(2)3/h11-14,19H,6-10,15-16H2,1-5H3;;(H2,1,2,3)/q;+1;/p-1