4-(bromomethyl)-2-methyl-1-nitro-benzene; tributylphosphanium

Systemtic Name: 4-(bromomethyl)-2-methyl-1-nitro-benzene; tributylphosphanium Openeye Name: 4-(bromomethyl)-2-methyl-1-nitro-benzene; tributylphosphonium CAS Name: 4-(bromomethyl)-2-methyl-1-nitrobenzene; tributylphosphonium IUPAC Name: 4-(bromomethyl)-2-methyl-1-nitrobenzene; tributylphosphanium Traditional Name: 4-(bromomethyl)-2-methyl-1-nitro-benzene; tributylphosphonium Formula: C20H36BrNO2P+ MolecularWeight: 433.383101

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[PH+](CCCC)CCCC.CC1=C(C=CC(=C1)CBr)[N+](=O)[O-]

Isomeric SMILES

CCCC[PH+](CCCC)CCCC.CC1=C(C=CC(=C1)CBr)[N+](=O)[O-]

InChI

InChI=1S/C12H27P.C8H8BrNO2/c1-4-7-10-13(11-8-5-2)12-9-6-3;1-6-4-7(5-9)2-3-8(6)10(11)12/h4-12H2,1-3H3;2-4H,5H2,1H3/p+1