sodium; 1-butyl-2-phenyl-benzene; hydrogen sulfite

Systemtic Name: sodium; 1-butyl-2-phenyl-benzene; hydrogen sulfite Openeye Name: sodium; 1-butyl-2-phenyl-benzene; hydrogen sulfite CAS Name: sodium; 1-butyl-2-phenylbenzene; hydrogen sulfite IUPAC Name: sodium; 1-butyl-2-phenylbenzene; hydrogen sulfite Traditional Name: sodium 1-butyl-2-phenyl-benzene bisulfite Formula: C16H19NaO3S MolecularWeight: 314.37503

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC=C1C2=CC=CC=C2.OS(=O)[O-].[Na+]

Isomeric SMILES

CCCCC1=CC=CC=C1C2=CC=CC=C2.OS(=O)[O-].[Na+]

InChI

InChI=1S/C16H18.Na.H2O3S/c1-2-3-9-14-12-7-8-13-16(14)15-10-5-4-6-11-15;;1-4(2)3/h4-8,10-13H,2-3,9H2,1H3;;(H2,1,2,3)/q;+1;/p-1