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2,3-dimethylnaphthalene; 1,3,5-trinitrobenzene

2,3-dimethylnaphthalene; 1,3,5-trinitrobenzene

Systemtic Name:2,3-dimethylnaphthalene; 1,3,5-trinitrobenzene
Openeye Name:2,3-dimethylnaphthalene; 1,3,5-trinitrobenzene
CAS Name:2,3-dimethylnaphthalene; 1,3,5-trinitrobenzene
IUPAC Name:2,3-dimethylnaphthalene; 1,3,5-trinitrobenzene
Traditional Name:2,3-dimethylnaphthalene; 1,3,5-trinitrobenzene
Formula: C18H15N3O6
MolecularWeight: 369.3282
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC=CC=C2C=C1C.C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]


Isomeric SMILES

CC1=CC2=CC=CC=C2C=C1C.C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]


InChI

InChI=1S/C12H12.C6H3N3O6/c1-9-7-11-5-3-4-6-12(11)8-10(9)2;10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h3-8H,1-2H3;1-3H


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