3-methoxy-13-methyl-16,17-dihydro-12H-cyclopenta[a]phenanthren-11-one; 2,4,6-trinitrophenol

Systemtic Name: 3-methoxy-13-methyl-16,17-dihydro-12H-cyclopenta[a]phenanthren-11-one; 2,4,6-trinitrophenol Openeye Name: 3-methoxy-13-methyl-16,17-dihydro-12H-cyclopenta[a]phenanthren-11-one; picric acid CAS Name: 3-methoxy-13-methyl-16,17-dihydro-12H-cyclopenta[a]phenanthren-11-one; 2,4,6-trinitrophenol IUPAC Name: 3-methoxy-13-methyl-16,17-dihydro-12H-cyclopenta[a]phenanthren-11-one; 2,4,6-trinitrophenol Traditional Name: 3-methoxy-13-methyl-16,17-dihydro-12H-cyclopenta[a]phenanthren-11-one; picric acid Formula: C25H21N3O9 MolecularWeight: 507.44894

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC=C1C3=C(C(=O)C2)C4=C(C=C3)C=C(C=C4)OC.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC12CCC=C1C3=C(C(=O)C2)C4=C(C=C3)C=C(C=C4)OC.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H18O2.C6H3N3O7/c1-19-9-3-4-16(19)15-7-5-12-10-13(21-2)6-8-14(12)18(15)17(20)11-19;10-6-4(8(13)14)1-3(7(11)12)2-5(6)9(15)16/h4-8,10H,3,9,11H2,1-2H3;1-2,10H