1,2,7-trimethylnaphthalene; 2,4,6-trinitrophenol

Systemtic Name: 1,2,7-trimethylnaphthalene; 2,4,6-trinitrophenol Openeye Name: picric acid; 1,2,7-trimethylnaphthalene CAS Name: 1,2,7-trimethylnaphthalene; 2,4,6-trinitrophenol IUPAC Name: 1,2,7-trimethylnaphthalene; 2,4,6-trinitrophenol Traditional Name: picric acid; sapotalene Formula: C19H17N3O7 MolecularWeight: 399.35418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14.C6H3N3O7/c1-9-4-6-12-7-5-10(2)11(3)13(12)8-9;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4-8H,1-3H3;1-2,10H