isocyanatobenzene; tris(oxidanyl)-sulfanylidene-$l^{5}-phosphane

Systemtic Name: isocyanatobenzene; tris(oxidanyl)-sulfanylidene-$l^{5}-phosphane Openeye Name: isocyanatobenzene; trihydroxy(thioxo)-$l^{5}-phosphane CAS Name: isocyanatobenzene; trihydroxy(sulfanylidene)phosphorane IUPAC Name: isocyanatobenzene; trihydroxy(sulfanylidene)-$l^{5}-phosphane Traditional Name: isocyanatobenzene; trihydroxy(thioxo)phosphorane Formula: C21H18N3O6PS MolecularWeight: 471.422881

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=C=O.C1=CC=C(C=C1)N=C=O.C1=CC=C(C=C1)N=C=O.OP(=S)(O)O

Isomeric SMILES

C1=CC=C(C=C1)N=C=O.C1=CC=C(C=C1)N=C=O.C1=CC=C(C=C1)N=C=O.OP(=S)(O)O

InChI

InChI=1S/3C7H5NO.H3O3PS/c3*9-6-8-7-4-2-1-3-5-7;1-4(2,3)5/h3*1-5H;(H3,1,2,3,5)