(1S,4R)-6,7-dimethyl-4-(trinitromethyl)-1,4-dihydronaphthalen-1-ol

Systemtic Name: (1S,4R)-6,7-dimethyl-4-(trinitromethyl)-1,4-dihydronaphthalen-1-ol Openeye Name: (1S,4R)-6,7-dimethyl-4-(trinitromethyl)-1,4-dihydronaphthalen-1-ol CAS Name: (1S,4R)-6,7-dimethyl-4-(trinitromethyl)-1,4-dihydronaphthalen-1-ol IUPAC Name: (1S,4R)-6,7-dimethyl-4-(trinitromethyl)-1,4-dihydronaphthalen-1-ol Traditional Name: (1S,4R)-6,7-dimethyl-4-(trinitromethyl)-1,4-dihydronaphthalen-1-ol Formula: C13H13N3O7 MolecularWeight: 323.25822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(C=CC(C2=C1)C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])O)C

Isomeric SMILES

CC1=C(C=C2[C@H](C=C[C@H](C2=C1)C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])O)C

InChI

InChI=1S/C13H13N3O7/c1-7-5-9-10(6-8(7)2)12(17)4-3-11(9)13(14(18)19,15(20)21)16(22)23/h3-6,11-12,17H,1-2H3/t11-,12+/m1/s1