sodium; 2-(2-ethylhexyl)butanedioic acid; hydrogen sulfite

Systemtic Name: sodium; 2-(2-ethylhexyl)butanedioic acid; hydrogen sulfite Openeye Name: sodium; 2-(2-ethylhexyl)butanedioic acid; hydrogen sulfite CAS Name: sodium; 2-(2-ethylhexyl)butanedioic acid; hydrogen sulfite IUPAC Name: sodium; 2-(2-ethylhexyl)butanedioic acid; hydrogen sulfite Traditional Name: sodium 2-(2-ethylhexyl)succinic acid bisulfite Formula: C12H23NaO7S MolecularWeight: 334.36159

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H22O4.Na.H2O3S/c1-3-5-6-9(4-2)7-10(12(15)16)8-11(13)14;;1-4(2)3/h9-10H,3-8H2,1-2H3,(H,13,14)(H,15,16);;(H2,1,2,3)/q;+1;/p-1