3-methyl-1,2-dihydrobenzo[j]aceanthrylene-1,2-diol; 2,4,6-trinitrophenol

Systemtic Name: 3-methyl-1,2-dihydrobenzo[j]aceanthrylene-1,2-diol; 2,4,6-trinitrophenol Openeye Name: 3-methyl-1,2-dihydrobenzo[j]aceanthrylene-1,2-diol; picric acid CAS Name: 3-methyl-1,2-dihydrobenzo[j]aceanthrylene-1,2-diol; 2,4,6-trinitrophenol IUPAC Name: 3-methyl-1,2-dihydrobenzo[j]aceanthrylene-1,2-diol; 2,4,6-trinitrophenol Traditional Name: 3-methylcholanthrene-1,2-diol; picric acid Formula: C27H19N3O9 MolecularWeight: 529.45446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(C(C3=C2C(=CC4=C3C=CC5=CC=CC=C54)C=C1)O)O.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(C(C3=C2C(=CC4=C3C=CC5=CC=CC=C54)C=C1)O)O.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H16O2.C6H3N3O7/c1-11-6-7-13-10-16-14-5-3-2-4-12(14)8-9-15(16)19-18(13)17(11)20(22)21(19)23;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h2-10,20-23H,1H3;1-2,10H