[1,4,4-tricyanato-2-(phenylsulfonyl)cyclohexa-2,5-dien-1-yl] cyanate

Systemtic Name: [1,4,4-tricyanato-2-(phenylsulfonyl)cyclohexa-2,5-dien-1-yl] cyanate Openeye Name: [2-(benzenesulfonyl)-1,4,4-tricyanato-cyclohexa-2,5-dien-1-yl] cyanate CAS Name: cyanic acid [2-(benzenesulfonyl)-1,4,4-tricyanato-1-cyclohexa-2,5-dienyl] ester IUPAC Name: [2-(benzenesulfonyl)-1,4,4-tricyanatocyclohexa-2,5-dien-1-yl] cyanate Traditional Name: cyanic acid (2-besyl-1,4,4-tricyanato-cyclohexa-2,5-dien-1-yl) ester Formula: C16H8N4O6S MolecularWeight: 384.32292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)C2=CC(C=CC2(OC#N)OC#N)(OC#N)OC#N

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)C2=CC(C=CC2(OC#N)OC#N)(OC#N)OC#N

InChI

InChI=1S/C16H8N4O6S/c17-9-23-15(24-10-18)6-7-16(25-11-19,26-12-20)14(8-15)27(21,22)13-4-2-1-3-5-13/h1-8H