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

Systemtic Name: 2-methyl-N,N-bis(phenylmethyl)undec-4-yn-3-amine; 2,4,6-trinitrophenol Openeye Name: N,N-dibenzyl-2-methyl-undec-4-yn-3-amine; picric acid CAS Name: 2-methyl-N,N-bis(phenylmethyl)-4-undecyn-3-amine; 2,4,6-trinitrophenol IUPAC Name: N,N-dibenzyl-2-methylundec-4-yn-3-amine; 2,4,6-trinitrophenol Traditional Name: dibenzyl(1-isopropylnon-2-ynyl)amine; picric acid Formula: C32H38N4O7 MolecularWeight: 590.66672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35N.C6H3N3O7/c1-4-5-6-7-8-15-20-26(23(2)3)27(21-24-16-11-9-12-17-24)22-25-18-13-10-14-19-25;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h9-14,16-19,23,26H,4-8,21-22H2,1-3H3;1-2,10H