3-chloranyl-4-(3-chloranyl-2-nitro-phenyl)-1H-pyrrole; tris(5-bromanyl-4-chloranyl-1H-indol-2-yl) phosphate

Systemtic Name: 3-chloranyl-4-(3-chloranyl-2-nitro-phenyl)-1H-pyrrole; tris(5-bromanyl-4-chloranyl-1H-indol-2-yl) phosphate Openeye Name: 3-chloro-4-(3-chloro-2-nitro-phenyl)-1H-pyrrole; tris(5-bromo-4-chloro-1H-indol-2-yl) phosphate CAS Name: 3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole; phosphoric acid tris(5-bromo-4-chloro-1H-indol-2-yl) ester IUPAC Name: 3-chloro-4-(3-chloro-2-nitrophenyl)-1H-pyrrole; tris(5-bromo-4-chloro-1H-indol-2-yl) phosphate Traditional Name: 3-chloro-4-(3-chloro-2-nitro-phenyl)-1H-pyrrole; phosphoric acid tris(5-bromo-4-chloro-1H-indol-2-yl) ester Formula: C34H18Br3Cl5N5O6P MolecularWeight: 1040.487381

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])C2=CNC=C2Cl.C1=CC(=C(C2=C1NC(=C2)OP(=O)(OC3=CC4=C(N3)C=CC(=C4Cl)Br)OC5=CC6=C(N5)C=CC(=C6Cl)Br)Cl)Br

Isomeric SMILES

C1=CC(=C(C(=C1)Cl)[N+](=O)[O-])C2=CNC=C2Cl.C1=CC(=C(C2=C1NC(=C2)OP(=O)(OC3=CC4=C(N3)C=CC(=C4Cl)Br)OC5=CC6=C(N5)C=CC(=C6Cl)Br)Cl)Br

InChI

InChI=1S/C24H12Br3Cl3N3O4P.C10H6Cl2N2O2/c25-13-1-4-16-10(22(13)28)7-19(31-16)35-38(34,36-20-8-11-17(32-20)5-2-14(26)23(11)29)37-21-9-12-18(33-21)6-3-15(27)24(12)30;11-8-3-1-2-6(10(8)14(15)16)7-4-13-5-9(7)12/h1-9,31-33H;1-5,13H