1-[(3E,11E)-3,11-bis[(2,4-dinitrophenyl)hydrazinylidene]-10,13-dimethyl-17-oxidanyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxidanyl-ethanone

Systemtic Name: 1-[(3E,11E)-3,11-bis[(2,4-dinitrophenyl)hydrazinylidene]-10,13-dimethyl-17-oxidanyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-oxidanyl-ethanone Openeye Name: 1-[(3E,11E)-3,11-bis[(2,4-dinitrophenyl)hydrazono]-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-hydroxy-ethanone CAS Name: 1-[(3E,11E)-3,11-bis[(2,4-dinitrophenyl)hydrazinylidene]-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-hydroxyethanone IUPAC Name: 1-[(3E,11E)-3,11-bis[(2,4-dinitrophenyl)hydrazinylidene]-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-hydroxyethanone Traditional Name: 1-[(3E,11E)-3,11-bis[(2,4-dinitrophenyl)hydrazono]-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]-2-hydroxy-ethanone Formula: C33H36N8O11 MolecularWeight: 720.68594

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(=NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C=C1CCC4C2C(=NNC5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-])CC6(C4CCC6(C(=O)CO)O)C

Isomeric SMILES

CC12CC/C(=N\NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])/C=C1CCC4C2/C(=N/NC5=C(C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-])/CC6(C4CCC6(C(=O)CO)O)C

InChI

InChI=1S/C33H36N8O11/c1-31-11-9-19(34-35-24-7-4-20(38(45)46)14-27(24)40(49)50)13-18(31)3-6-22-23-10-12-33(44,29(43)17-42)32(23,2)16-26(30(22)31)37-36-25-8-5-21(39(47)48)15-28(25)41(51)52/h4-5,7-8,13-15,22-23,30,35-36,42,44H,3,6,9-12,16-17H2,1-2H3/b34-19+,37-26+