1,4a-dimethyl-5,7-dinitro-6-oxidanyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate

Systemtic Name: 1,4a-dimethyl-5,7-dinitro-6-oxidanyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate Openeye Name: 6-hydroxy-1,4a-dimethyl-5,7-dinitro-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate CAS Name: 6-hydroxy-1,4a-dimethyl-5,7-dinitro-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate IUPAC Name: 6-hydroxy-1,4a-dimethyl-5,7-dinitro-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate Traditional Name: 6-hydroxy-1,4a-dimethyl-5,7-dinitro-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate Formula: C17H19N2O7- MolecularWeight: 363.34196

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCCC(C1CCC3=CC(=C(C(=C23)[N+](=O)[O-])O)[N+](=O)[O-])(C)C(=O)[O-]

Isomeric SMILES

CC12CCCC(C1CCC3=CC(=C(C(=C23)[N+](=O)[O-])O)[N+](=O)[O-])(C)C(=O)[O-]

InChI

InChI=1S/C17H20N2O7/c1-16-6-3-7-17(2,15(21)22)11(16)5-4-9-8-10(18(23)24)14(20)13(12(9)16)19(25)26/h8,11,20H,3-7H2,1-2H3,(H,21,22)/p-1