2,4-dimethyl-6-(piperidin-1-ylmethyl)phenol; 2,4,6-trinitrophenol

Systemtic Name: 2,4-dimethyl-6-(piperidin-1-ylmethyl)phenol; 2,4,6-trinitrophenol Openeye Name: 2,4-dimethyl-6-(1-piperidylmethyl)phenol; picric acid CAS Name: 2,4-dimethyl-6-(1-piperidinylmethyl)phenol; 2,4,6-trinitrophenol IUPAC Name: 2,4-dimethyl-6-(piperidin-1-ylmethyl)phenol; 2,4,6-trinitrophenol Traditional Name: 2,4-dimethyl-6-(piperidinomethyl)phenol; picric acid Formula: C20H24N4O8 MolecularWeight: 448.42656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)CN2CCCCC2)O)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C(=C1)CN2CCCCC2)O)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H21NO.C6H3N3O7/c1-11-8-12(2)14(16)13(9-11)10-15-6-4-3-5-7-15;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h8-9,16H,3-7,10H2,1-2H3;1-2,10H