1-phenethyl-4-(trinitromethyl)benzene

Systemtic Name: 1-phenethyl-4-(trinitromethyl)benzene Openeye Name: 1-phenethyl-4-(trinitromethyl)benzene CAS Name: 1-phenethyl-4-(trinitromethyl)benzene IUPAC Name: 1-phenethyl-4-(trinitromethyl)benzene Traditional Name: 1-phenethyl-4-(trinitromethyl)benzene Formula: C15H13N3O6 MolecularWeight: 331.28022

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=CC=C(C=C2)C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCC2=CC=C(C=C2)C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H13N3O6/c19-16(20)15(17(21)22,18(23)24)14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-5,8-11H,6-7H2