N-(diphenyl-$l^{4}-sulfanylidene)-4-methyl-benzenesulfonamide; 2,4,6-trinitrophenol

Systemtic Name: N-(diphenyl-$l^{4}-sulfanylidene)-4-methyl-benzenesulfonamide; 2,4,6-trinitrophenol Openeye Name: N-(diphenyl-$l^{4}-sulfanylidene)-4-methyl-benzenesulfonamide; picric acid CAS Name: N-(diphenyl-$l^{4}-sulfanylidene)-4-methylbenzenesulfonamide; 2,4,6-trinitrophenol IUPAC Name: N-(diphenyl-$l^{4}-sulfanylidene)-4-methylbenzenesulfonamide; 2,4,6-trinitrophenol Traditional Name: N-diphenylsulfuranylidene-4-methyl-benzenesulfonamide; picric acid Formula: C25H20N4O9S2 MolecularWeight: 584.5777

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=S(C2=CC=CC=C2)C3=CC=CC=C3.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N=S(C2=CC=CC=C2)C3=CC=CC=C3.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H17NO2S2.C6H3N3O7/c1-16-12-14-19(15-13-16)24(21,22)20-23(17-8-4-2-5-9-17)18-10-6-3-7-11-18;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-15H,1H3;1-2,10H