sodium; 2-butyl-3-ethoxy-naphthalene; hydrogen sulfite

Systemtic Name: sodium; 2-butyl-3-ethoxy-naphthalene; hydrogen sulfite Openeye Name: sodium; 2-butyl-3-ethoxy-naphthalene; hydrogen sulfite CAS Name: sodium; 2-butyl-3-ethoxynaphthalene; hydrogen sulfite IUPAC Name: sodium; 2-butyl-3-ethoxynaphthalene; hydrogen sulfite Traditional Name: sodium 2-butyl-3-ethoxy-naphthalene bisulfite Formula: C16H21NaO4S MolecularWeight: 332.39031

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC=CC=C2C=C1OCC.OS(=O)[O-].[Na+]

Isomeric SMILES

CCCCC1=CC2=CC=CC=C2C=C1OCC.OS(=O)[O-].[Na+]

InChI

InChI=1S/C16H20O.Na.H2O3S/c1-3-5-8-15-11-13-9-6-7-10-14(13)12-16(15)17-4-2;;1-4(2)3/h6-7,9-12H,3-5,8H2,1-2H3;;(H2,1,2,3)/q;+1;/p-1