sodium (3-butyl-2-phenyl-phenyl) sulfite

Systemtic Name: sodium (3-butyl-2-phenyl-phenyl) sulfite Openeye Name: sodium (3-butyl-2-phenyl-phenyl) sulfite CAS Name: sodium (3-butyl-2-phenylphenyl) sulfite IUPAC Name: sodium (3-butyl-2-phenylphenyl) sulfite Traditional Name: sodium (3-butyl-2-phenyl-phenyl) sulfite Formula: C16H17NaO3S MolecularWeight: 312.35915

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=CC=C1)OS(=O)[O-])C2=CC=CC=C2.[Na+]

Isomeric SMILES

CCCCC1=C(C(=CC=C1)OS(=O)[O-])C2=CC=CC=C2.[Na+]

InChI

InChI=1S/C16H18O3S.Na/c1-2-3-8-13-11-7-12-15(19-20(17)18)16(13)14-9-5-4-6-10-14;/h4-7,9-12H,2-3,8H2,1H3,(H,17,18);/q;+1/p-1