2-(3,4,5-trimethoxyphenyl)ethanamine; 2,4,6-trinitrophenol

Systemtic Name: 2-(3,4,5-trimethoxyphenyl)ethanamine; 2,4,6-trinitrophenol Openeye Name: picric acid; 2-(3,4,5-trimethoxyphenyl)ethanamine CAS Name: 2-(3,4,5-trimethoxyphenyl)ethanamine; 2,4,6-trinitrophenol IUPAC Name: 2-(3,4,5-trimethoxyphenyl)ethanamine; 2,4,6-trinitrophenol Traditional Name: picric acid; 2-(3,4,5-trimethoxyphenyl)ethylamine Formula: C17H20N4O10 MolecularWeight: 440.3615

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CCN.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CCN.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H17NO3.C6H3N3O7/c1-13-9-6-8(4-5-12)7-10(14-2)11(9)15-3;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h6-7H,4-5,12H2,1-3H3;1-2,10H