4-methyl-1-phenyl-N,N-bis(phenylmethyl)pent-1-yn-3-amine; 2,4,6-trinitrophenol

Systemtic Name: 4-methyl-1-phenyl-N,N-bis(phenylmethyl)pent-1-yn-3-amine; 2,4,6-trinitrophenol Openeye Name: N,N-dibenzyl-4-methyl-1-phenyl-pent-1-yn-3-amine; picric acid CAS Name: 4-methyl-1-phenyl-N,N-bis(phenylmethyl)-1-pentyn-3-amine; 2,4,6-trinitrophenol IUPAC Name: N,N-dibenzyl-4-methyl-1-phenylpent-1-yn-3-amine; 2,4,6-trinitrophenol Traditional Name: dibenzyl-(1-isopropyl-3-phenyl-prop-2-ynyl)amine; picric acid Formula: C32H30N4O7 MolecularWeight: 582.6032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C#CC1=CC=CC=C1)N(CC2=CC=CC=C2)CC3=CC=CC=C3.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)C(C#CC1=CC=CC=C1)N(CC2=CC=CC=C2)CC3=CC=CC=C3.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C26H27N.C6H3N3O7/c1-22(2)26(19-18-23-12-6-3-7-13-23)27(20-24-14-8-4-9-15-24)21-25-16-10-5-11-17-25;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h3-17,22,26H,20-21H2,1-2H3;1-2,10H