2,4,5-trinitro-N1,N3,N6-triphenyl-9H-carbazole-1,3,6-trisulfonamide

Systemtic Name: 2,4,5-trinitro-N1,N3,N6-triphenyl-9H-carbazole-1,3,6-trisulfonamide Openeye Name: 2,4,5-trinitro-N1,N3,N6-triphenyl-9H-carbazole-1,3,6-trisulfonamide CAS Name: 2,4,5-trinitro-N1,N3,N6-triphenyl-9H-carbazole-1,3,6-trisulfonamide IUPAC Name: 2,4,5-trinitro-1-N,3-N,6-N-triphenyl-9H-carbazole-1,3,6-trisulfonamide Traditional Name: 2,4,5-trinitro-N1,N3,N6-triphenyl-9H-carbazole-1,3,6-trisulfonamide Formula: C30H21N7O12S3 MolecularWeight: 767.72244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NS(=O)(=O)C2=C(C3=C(C=C2)NC4=C3C(=C(C(=C4S(=O)(=O)NC5=CC=CC=C5)[N+](=O)[O-])S(=O)(=O)NC6=CC=CC=C6)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NS(=O)(=O)C2=C(C3=C(C=C2)NC4=C3C(=C(C(=C4S(=O)(=O)NC5=CC=CC=C5)[N+](=O)[O-])S(=O)(=O)NC6=CC=CC=C6)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C30H21N7O12S3/c38-35(39)26-22(50(44,45)32-18-10-4-1-5-11-18)17-16-21-23(26)24-25(31-21)29(51(46,47)33-19-12-6-2-7-13-19)28(37(42)43)30(27(24)36(40)41)52(48,49)34-20-14-8-3-9-15-20/h1-17,31-34H