hydrogen sulfite; 1-methyl-4-(phenylmethyl)benzene; dicyanate

Systemtic Name: hydrogen sulfite; 1-methyl-4-(phenylmethyl)benzene; dicyanate Openeye Name: 1-benzyl-4-methyl-benzene; hydrogen sulfite; dicyanate CAS Name: hydrogen sulfite; 1-methyl-4-(phenylmethyl)benzene; dicyanate IUPAC Name: 1-benzyl-4-methylbenzene; hydrogen sulfite; dicyanate Traditional Name: 1-benzyl-4-methyl-benzene bisulfite dicyanate Formula: C16H15N2O5S-3 MolecularWeight: 347.3657

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=CC=CC=C2.C(#N)[O-].C(#N)[O-].OS(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CC2=CC=CC=C2.C(#N)[O-].C(#N)[O-].OS(=O)[O-]

InChI

InChI=1S/C14H14.2CHNO.H2O3S/c1-12-7-9-14(10-8-12)11-13-5-3-2-4-6-13;2*2-1-3;1-4(2)3/h2-10H,11H2,1H3;2*3H;(H2,1,2,3)/p-3