hydrogen sulfite; (phenylmethyl)benzene; dicyanate

Systemtic Name: hydrogen sulfite; (phenylmethyl)benzene; dicyanate Openeye Name: benzylbenzene; hydrogen sulfite; dicyanate CAS Name: hydrogen sulfite; (phenylmethyl)benzene; dicyanate IUPAC Name: benzylbenzene; hydrogen sulfite; dicyanate Traditional Name: benzylbenzene bisulfite dicyanate Formula: C15H13N2O5S-3 MolecularWeight: 333.33912

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=CC=C2.C(#N)[O-].C(#N)[O-].OS(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=CC=C2.C(#N)[O-].C(#N)[O-].OS(=O)[O-]

InChI

InChI=1S/C13H12.2CHNO.H2O3S/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;2*2-1-3;1-4(2)3/h1-10H,11H2;2*3H;(H2,1,2,3)/p-3