N-(furan-2-ylmethyl)-4-methyl-N-non-2-ynyl-aniline; 2,4,6-trinitrophenol

Systemtic Name: N-(furan-2-ylmethyl)-4-methyl-N-non-2-ynyl-aniline; 2,4,6-trinitrophenol Openeye Name: N-(2-furylmethyl)-4-methyl-N-non-2-ynyl-aniline; picric acid CAS Name: N-(2-furanylmethyl)-4-methyl-N-non-2-ynylaniline; 2,4,6-trinitrophenol IUPAC Name: N-(furan-2-ylmethyl)-4-methyl-N-non-2-ynylaniline; 2,4,6-trinitrophenol Traditional Name: 2-furfuryl-non-2-ynyl-(p-tolyl)amine; picric acid Formula: C27H30N4O8 MolecularWeight: 538.5491

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CCN(CC1=CC=CO1)C2=CC=C(C=C2)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCCCC#CCN(CC1=CC=CO1)C2=CC=C(C=C2)C.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H27NO.C6H3N3O7/c1-3-4-5-6-7-8-9-16-22(18-21-11-10-17-23-21)20-14-12-19(2)13-15-20;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h10-15,17H,3-7,16,18H2,1-2H3;1-2,10H