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

Systemtic Name: 2,4,6-trinitrophenol; 1-(undecan-6-ylamino)propan-2-ol Openeye Name: 1-(1-pentylhexylamino)propan-2-ol; picric acid CAS Name: 2,4,6-trinitrophenol; 1-(undecan-6-ylamino)-2-propanol IUPAC Name: 2,4,6-trinitrophenol; 1-(undecan-6-ylamino)propan-2-ol Traditional Name: 1-(1-amylhexylamino)propan-2-ol; picric acid Formula: C20H34N4O8 MolecularWeight: 458.50596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H31NO.C6H3N3O7/c1-4-6-8-10-14(11-9-7-5-2)15-12-13(3)16;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h13-16H,4-12H2,1-3H3;1-2,10H