2,4,5,7-tetramethylphenanthrene; 1,3,5-trinitrobenzene

Systemtic Name: 2,4,5,7-tetramethylphenanthrene; 1,3,5-trinitrobenzene Openeye Name: 2,4,5,7-tetramethylphenanthrene; 1,3,5-trinitrobenzene CAS Name: 2,4,5,7-tetramethylphenanthrene; 1,3,5-trinitrobenzene IUPAC Name: 2,4,5,7-tetramethylphenanthrene; 1,3,5-trinitrobenzene Traditional Name: 2,4,5,7-tetramethylphenanthrene; 1,3,5-trinitrobenzene Formula: C24H21N3O6 MolecularWeight: 447.44004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=CC3=CC(=CC(=C32)C)C)C.C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C2C(=C1)C=CC3=CC(=CC(=C32)C)C)C.C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H18.C6H3N3O6/c1-11-7-13(3)17-15(9-11)5-6-16-10-12(2)8-14(4)18(16)17;10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h5-10H,1-4H3;1-3H