[bis(diphenylphosphanyl)-thiocyanato-methyl] thiocyanate

Systemtic Name: [bis(diphenylphosphanyl)-thiocyanato-methyl] thiocyanate Openeye Name: [bis(diphenylphosphanyl)-thiocyanato-methyl] thiocyanate CAS Name: thiocyanic acid [bis(diphenylphosphino)-thiocyanatomethyl] ester IUPAC Name: [bis(diphenylphosphanyl)-thiocyanatomethyl] thiocyanate Traditional Name: thiocyanic acid [bis(diphenylphosphino)-thiocyanato-methyl] ester Formula: C27H20N2P2S2 MolecularWeight: 498.538622

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)P(C2=CC=CC=C2)C(P(C3=CC=CC=C3)C4=CC=CC=C4)(SC#N)SC#N

Isomeric SMILES

C1=CC=C(C=C1)P(C2=CC=CC=C2)C(P(C3=CC=CC=C3)C4=CC=CC=C4)(SC#N)SC#N

InChI

InChI=1S/C27H20N2P2S2/c28-21-32-27(33-22-29,30(23-13-5-1-6-14-23)24-15-7-2-8-16-24)31(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H