N-[4-(4-aminophenyl)sulfonylphenyl]-2,4,6-trinitro-aniline

Systemtic Name: N-[4-(4-aminophenyl)sulfonylphenyl]-2,4,6-trinitro-aniline Openeye Name: N-[4-(4-aminophenyl)sulfonylphenyl]-2,4,6-trinitro-aniline CAS Name: N-[4-(4-aminophenyl)sulfonylphenyl]-2,4,6-trinitroaniline IUPAC Name: N-[4-(4-aminophenyl)sulfonylphenyl]-2,4,6-trinitroaniline Traditional Name: picryl-(4-sulfanilylphenyl)amine Formula: C18H13N5O8S MolecularWeight: 459.38952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)NC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)NC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H13N5O8S/c19-11-1-5-14(6-2-11)32(30,31)15-7-3-12(4-8-15)20-18-16(22(26)27)9-13(21(24)25)10-17(18)23(28)29/h1-10,20H,19H2