1,2,8-trimethylphenanthrene; 2,4,6-trinitrophenol

Systemtic Name: 1,2,8-trimethylphenanthrene; 2,4,6-trinitrophenol Openeye Name: picric acid; 1,2,8-trimethylphenanthrene CAS Name: 1,2,8-trimethylphenanthrene; 2,4,6-trinitrophenol IUPAC Name: 1,2,8-trimethylphenanthrene; 2,4,6-trinitrophenol Traditional Name: picric acid; 1,2,8-trimethylphenanthrene Formula: C23H19N3O7 MolecularWeight: 449.41286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C3=C(C=C2)C(=CC=C3)C)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C2=C(C=C1)C3=C(C=C2)C(=CC=C3)C)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H16.C6H3N3O7/c1-11-7-8-17-15(13(11)3)10-9-14-12(2)5-4-6-16(14)17;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4-10H,1-3H3;1-2,10H