2-[(2-methyl-6-propan-2-yl-cyclohexyl)amino]ethanol; 2,4,6-trinitrophenol

Systemtic Name: 2-[(2-methyl-6-propan-2-yl-cyclohexyl)amino]ethanol; 2,4,6-trinitrophenol Openeye Name: 2-[(2-isopropyl-6-methyl-cyclohexyl)amino]ethanol; picric acid CAS Name: 2-[(2-methyl-6-propan-2-ylcyclohexyl)amino]ethanol; 2,4,6-trinitrophenol IUPAC Name: 2-[(2-methyl-6-propan-2-ylcyclohexyl)amino]ethanol; 2,4,6-trinitrophenol Traditional Name: 2-[(2-isopropyl-6-methyl-cyclohexyl)amino]ethanol; picric acid Formula: C18H28N4O8 MolecularWeight: 428.43692

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1NCCO)C(C)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1CCCC(C1NCCO)C(C)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H25NO.C6H3N3O7/c1-9(2)11-6-4-5-10(3)12(11)13-7-8-14;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h9-14H,4-8H2,1-3H3;1-2,10H