6-dimethoxyphosphoryl-2-methyl-1,3,5-trinitro-cyclohexa-1,3-diene

Systemtic Name: 6-dimethoxyphosphoryl-2-methyl-1,3,5-trinitro-cyclohexa-1,3-diene Openeye Name: 6-dimethoxyphosphoryl-2-methyl-1,3,5-trinitro-cyclohexa-1,3-diene CAS Name: 6-dimethoxyphosphoryl-2-methyl-1,3,5-trinitrocyclohexa-1,3-diene IUPAC Name: 6-dimethoxyphosphoryl-2-methyl-1,3,5-trinitrocyclohexa-1,3-diene Traditional Name: 6-dimethoxyphosphoryl-2-methyl-1,3,5-trinitro-cyclohexa-1,3-diene Formula: C9H11N3O9P- MolecularWeight: 336.172101

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11N3O9P/c1-5-6(10(13)14)4-7(11(15)16)9(8(5)12(17)18)22(19,20-2)21-3/h4,9H,1-3H3/q-1