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

Systemtic Name: (3-butyl-2-phenyl-phenyl) hydrogen sulfite Openeye Name: (3-butyl-2-phenyl-phenyl) hydrogen sulfite CAS Name: sulfurous acid (3-butyl-2-phenylphenyl) ester IUPAC Name: (3-butyl-2-phenylphenyl) hydrogen sulfite Traditional Name: sulfurous acid (3-butyl-2-phenyl-phenyl) ester Formula: C16H18O3S MolecularWeight: 290.37732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=CC=C1)OS(=O)O)C2=CC=CC=C2

Isomeric SMILES

CCCCC1=C(C(=CC=C1)OS(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C16H18O3S/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)