2-(decan-2-ylamino)ethanol; 2,4,6-trinitrophenol

Systemtic Name: 2-(decan-2-ylamino)ethanol; 2,4,6-trinitrophenol Openeye Name: 2-(1-methylnonylamino)ethanol; picric acid CAS Name: 2-(decan-2-ylamino)ethanol; 2,4,6-trinitrophenol IUPAC Name: 2-(decan-2-ylamino)ethanol; 2,4,6-trinitrophenol Traditional Name: 2-(1-methylnonylamino)ethanol; picric acid Formula: C18H30N4O8 MolecularWeight: 430.4528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C)NCCO.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCC(C)NCCO.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H27NO.C6H3N3O7/c1-3-4-5-6-7-8-9-12(2)13-10-11-14;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h12-14H,3-11H2,1-2H3;1-2,10H