1-bromanyl-7-methyl-naphthalene; 2,4,6-trinitrophenol

Systemtic Name: 1-bromanyl-7-methyl-naphthalene; 2,4,6-trinitrophenol Openeye Name: 1-bromo-7-methyl-naphthalene; picric acid CAS Name: 1-bromo-7-methylnaphthalene; 2,4,6-trinitrophenol IUPAC Name: 1-bromo-7-methylnaphthalene; 2,4,6-trinitrophenol Traditional Name: 1-bromo-7-methyl-naphthalene; picric acid Formula: C17H12BrN3O7 MolecularWeight: 450.19708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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