1-bromanyl-2-[(2-bromanyl-4-methyl-6-nitro-phenoxy)-(2-bromanyl-4-methyl-6-nitro-phenyl)sulfanyl-phosphoryl]oxy-5-methyl-3-nitro-benzene

Systemtic Name: 1-bromanyl-2-[(2-bromanyl-4-methyl-6-nitro-phenoxy)-(2-bromanyl-4-methyl-6-nitro-phenyl)sulfanyl-phosphoryl]oxy-5-methyl-3-nitro-benzene Openeye Name: 1-bromo-2-[(2-bromo-4-methyl-6-nitro-phenoxy)-(2-bromo-4-methyl-6-nitro-phenyl)sulfanyl-phosphoryl]oxy-5-methyl-3-nitro-benzene CAS Name: 1-bromo-2-[(2-bromo-4-methyl-6-nitrophenoxy)-[(2-bromo-4-methyl-6-nitrophenyl)thio]phosphoryl]oxy-5-methyl-3-nitrobenzene IUPAC Name: 1-bromo-2-[(2-bromo-4-methyl-6-nitrophenoxy)-(2-bromo-4-methyl-6-nitrophenyl)sulfanylphosphoryl]oxy-5-methyl-3-nitrobenzene Traditional Name: 1-bromo-2-[(2-bromo-4-methyl-6-nitro-phenoxy)-[(2-bromo-4-methyl-6-nitro-phenyl)thio]phosphoryl]oxy-5-methyl-3-nitro-benzene Formula: C21H15Br3N3O9PS MolecularWeight: 756.109261

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)OP(=O)(OC2=C(C=C(C=C2Br)C)[N+](=O)[O-])SC3=C(C=C(C=C3Br)C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)OP(=O)(OC2=C(C=C(C=C2Br)C)[N+](=O)[O-])SC3=C(C=C(C=C3Br)C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H15Br3N3O9PS/c1-10-4-13(22)19(16(7-10)25(28)29)35-37(34,36-20-14(23)5-11(2)8-17(20)26(30)31)38-21-15(24)6-12(3)9-18(21)27(32)33/h4-9H,1-3H3