1-ethyl-7-methoxy-naphthalene; 2,4,6-trinitrophenol

Systemtic Name: 1-ethyl-7-methoxy-naphthalene; 2,4,6-trinitrophenol Openeye Name: 1-ethyl-7-methoxy-naphthalene; picric acid CAS Name: 1-ethyl-7-methoxynaphthalene; 2,4,6-trinitrophenol IUPAC Name: 1-ethyl-7-methoxynaphthalene; 2,4,6-trinitrophenol Traditional Name: 1-ethyl-7-methoxy-naphthalene; picric acid Formula: C19H17N3O8 MolecularWeight: 415.35358

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1C=C(C=C2)OC.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=CC2=C1C=C(C=C2)OC.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H14O.C6H3N3O7/c1-3-10-5-4-6-11-7-8-12(14-2)9-13(10)11;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4-9H,3H2,1-2H3;1-2,10H