1-bromanyl-5-methyl-naphthalene; 2,4,6-trinitrophenol

Systemtic Name: 1-bromanyl-5-methyl-naphthalene; 2,4,6-trinitrophenol Openeye Name: 1-bromo-5-methyl-naphthalene; picric acid CAS Name: 1-bromo-5-methylnaphthalene; 2,4,6-trinitrophenol IUPAC Name: 1-bromo-5-methylnaphthalene; 2,4,6-trinitrophenol Traditional Name: 1-bromo-5-methyl-naphthalene; picric acid Formula: C17H12BrN3O7 MolecularWeight: 450.19708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1C=CC=C2Br.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC2=C1C=CC=C2Br.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H9Br.C6H3N3O7/c1-8-4-2-6-10-9(8)5-3-7-11(10)12;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-7H,1H3;1-2,10H