3-methyl-2,4,5-trinitro-6-propan-2-yl-phenol

Systemtic Name: 3-methyl-2,4,5-trinitro-6-propan-2-yl-phenol Openeye Name: 2-isopropyl-5-methyl-3,4,6-trinitro-phenol CAS Name: 3-methyl-2,4,5-trinitro-6-propan-2-ylphenol IUPAC Name: 3-methyl-2,4,5-trinitro-6-propan-2-ylphenol Traditional Name: 2-isopropyl-5-methyl-3,4,6-trinitro-phenol Formula: C10H11N3O7 MolecularWeight: 285.21024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1[N+](=O)[O-])O)C(C)C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=C(C(=C1[N+](=O)[O-])O)C(C)C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H11N3O7/c1-4(2)6-9(13(19)20)7(11(15)16)5(3)8(10(6)14)12(17)18/h4,14H,1-3H3