naphthalen-1-ol; 1,3,5-trinitrobenzene

Systemtic Name: naphthalen-1-ol; 1,3,5-trinitrobenzene Openeye Name: naphthalen-1-ol; 1,3,5-trinitrobenzene CAS Name: 1-naphthalenol; 1,3,5-trinitrobenzene IUPAC Name: naphthalen-1-ol; 1,3,5-trinitrobenzene Traditional Name: 1-naphthol; 1,3,5-trinitrobenzene Formula: C16H11N3O7 MolecularWeight: 357.27444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2O.C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2O.C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C10H8O.C6H3N3O6/c11-10-7-3-5-8-4-1-2-6-9(8)10;10-7(11)4-1-5(8(12)13)3-6(2-4)9(14)15/h1-7,11H;1-3H