1,2,7-trimethylnaphthalene; 2,4,6-trinitrobenzene-1,3-diol

Systemtic Name: 1,2,7-trimethylnaphthalene; 2,4,6-trinitrobenzene-1,3-diol Openeye Name: 1,2,7-trimethylnaphthalene; 2,4,6-trinitrobenzene-1,3-diol CAS Name: 1,2,7-trimethylnaphthalene; 2,4,6-trinitrobenzene-1,3-diol IUPAC Name: 1,2,7-trimethylnaphthalene; 2,4,6-trinitrobenzene-1,3-diol Traditional Name: sapotalene; 2,4,6-trinitroresorcinol Formula: C19H17N3O8 MolecularWeight: 415.35358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=CC(=C2C)C.C1=C(C(=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)C=CC(=C2C)C.C1=C(C(=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])O)[N+](=O)[O-]

InChI

InChI=1S/C13H14.C6H3N3O8/c1-9-4-6-12-7-5-10(2)11(3)13(12)8-9;10-5-2(7(12)13)1-3(8(14)15)6(11)4(5)9(16)17/h4-8H,1-3H3;1,10-11H