3-(octan-2-ylamino)propan-1-ol; 2,4,6-trinitrophenol

Systemtic Name: 3-(octan-2-ylamino)propan-1-ol; 2,4,6-trinitrophenol Openeye Name: 3-(1-methylheptylamino)propan-1-ol; picric acid CAS Name: 3-(octan-2-ylamino)-1-propanol; 2,4,6-trinitrophenol IUPAC Name: 3-(octan-2-ylamino)propan-1-ol; 2,4,6-trinitrophenol Traditional Name: 3-(1-methylheptylamino)propan-1-ol; picric acid Formula: C17H28N4O8 MolecularWeight: 416.42622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)NCCCO.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCCC(C)NCCCO.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H25NO.C6H3N3O7/c1-3-4-5-6-8-11(2)12-9-7-10-13;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h11-13H,3-10H2,1-2H3;1-2,10H