sodium; 3-decoxycarbonyl-4,4-dimethyl-hexanoic acid; hydrogen sulfite

Systemtic Name: sodium; 3-decoxycarbonyl-4,4-dimethyl-hexanoic acid; hydrogen sulfite Openeye Name: sodium; 3-decoxycarbonyl-4,4-dimethyl-hexanoic acid; hydrogen sulfite CAS Name: sodium; 3-[decoxy(oxo)methyl]-4,4-dimethylhexanoic acid; hydrogen sulfite IUPAC Name: sodium; 3-decoxycarbonyl-4,4-dimethylhexanoic acid; hydrogen sulfite Traditional Name: sodium 3-decoxycarbonyl-4,4-dimethyl-hexanoic acid bisulfite Formula: C19H36NaO7S- MolecularWeight: 431.53971

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H35O4.Na.H2O3S/c1-5-7-8-9-10-11-12-13-14-23-18(22)16(15-17(20)21)19(3,4)6-2;;1-4(2)3/h5-15H2,1-4H3,(H,20,21);;(H2,1,2,3)/q-1;+1;/p-1