1,3,5,7-tetrakis(4-nitrophenyl)adamantane

Systemtic Name: 1,3,5,7-tetrakis(4-nitrophenyl)adamantane Openeye Name: 1,3,5,7-tetrakis(4-nitrophenyl)adamantane CAS Name: 1,3,5,7-tetrakis(4-nitrophenyl)adamantane IUPAC Name: 1,3,5,7-tetrakis(4-nitrophenyl)adamantane Traditional Name: 1,3,5,7-tetrakis(4-nitrophenyl)adamantane Formula: C34H28N4O8 MolecularWeight: 620.60812

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Descriptors Computed from Structure

Canonical SMILES:

C1C2(CC3(CC1(CC(C2)(C3)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=C(C=C5)[N+](=O)[O-])C6=CC=C(C=C6)[N+](=O)[O-])C7=CC=C(C=C7)[N+](=O)[O-]

Isomeric SMILES

C1C2(CC3(CC1(CC(C2)(C3)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=C(C=C5)[N+](=O)[O-])C6=CC=C(C=C6)[N+](=O)[O-])C7=CC=C(C=C7)[N+](=O)[O-]

InChI

InChI=1S/C34H28N4O8/c39-35(40)27-9-1-23(2-10-27)31-17-32(24-3-11-28(12-4-24)36(41)42)20-33(18-31,25-5-13-29(14-6-25)37(43)44)22-34(19-31,21-32)26-7-15-30(16-8-26)38(45)46/h1-16H,17-22H2