[7-(1-adamantylcarbonyloxy)-3,6-dinitro-9-oxidanylidene-fluoren-2-yl] adamantane-1-carboxylate

Systemtic Name: [7-(1-adamantylcarbonyloxy)-3,6-dinitro-9-oxidanylidene-fluoren-2-yl] adamantane-1-carboxylate Openeye Name: [7-(adamantane-1-carbonyloxy)-3,6-dinitro-9-oxo-fluoren-2-yl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [7-[1-adamantyl(oxo)methoxy]-3,6-dinitro-9-oxo-2-fluorenyl] ester IUPAC Name: [7-(adamantane-1-carbonyloxy)-3,6-dinitro-9-oxofluoren-2-yl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [7-(adamantane-1-carbonyloxy)-9-keto-3,6-dinitro-fluoren-2-yl] ester Formula: C35H34N2O9 MolecularWeight: 626.65246

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)OC4=C(C=C5C6=CC(=C(C=C6C(=O)C5=C4)OC(=O)C78CC9CC(C7)CC(C9)C8)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)OC4=C(C=C5C6=CC(=C(C=C6C(=O)C5=C4)OC(=O)C78CC9CC(C7)CC(C9)C8)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C35H34N2O9/c38-31-25-9-29(45-32(39)34-11-17-1-18(12-34)3-19(2-17)13-34)27(36(41)42)7-23(25)24-8-28(37(43)44)30(10-26(24)31)46-33(40)35-14-20-4-21(15-35)6-22(5-20)16-35/h7-10,17-22H,1-6,11-16H2