2-(heptan-4-ylamino)butan-1-ol; 2,4,6-trinitrophenol

Systemtic Name: 2-(heptan-4-ylamino)butan-1-ol; 2,4,6-trinitrophenol Openeye Name: picric acid; 2-(1-propylbutylamino)butan-1-ol CAS Name: 2-(heptan-4-ylamino)-1-butanol; 2,4,6-trinitrophenol IUPAC Name: 2-(heptan-4-ylamino)butan-1-ol; 2,4,6-trinitrophenol Traditional Name: picric acid; 2-(1-propylbutylamino)butan-1-ol Formula: C17H28N4O8 MolecularWeight: 416.42622

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)NC(CC)CO.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCC(CCC)NC(CC)CO.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H25NO.C6H3N3O7/c1-4-7-11(8-5-2)12-10(6-3)9-13;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h10-13H,4-9H2,1-3H3;1-2,10H