1-(nonan-5-ylamino)propan-2-ol; 2,4,6-trinitrophenol

Systemtic Name: 1-(nonan-5-ylamino)propan-2-ol; 2,4,6-trinitrophenol Openeye Name: 1-(1-butylpentylamino)propan-2-ol; picric acid CAS Name: 1-(nonan-5-ylamino)-2-propanol; 2,4,6-trinitrophenol IUPAC Name: 1-(nonan-5-ylamino)propan-2-ol; 2,4,6-trinitrophenol Traditional Name: 1-(1-butylpentylamino)propan-2-ol; picric acid Formula: C18H30N4O8 MolecularWeight: 430.4528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCC)NCC(C)O.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCC(CCCC)NCC(C)O.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H27NO.C6H3N3O7/c1-4-6-8-12(9-7-5-2)13-10-11(3)14;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h11-14H,4-10H2,1-3H3;1-2,10H