(3S,5R)-4,4-dimethoxy-1-(4-nitrophenyl)adamantane

Systemtic Name: (3S,5R)-4,4-dimethoxy-1-(4-nitrophenyl)adamantane Openeye Name: (3S,5R)-4,4-dimethoxy-1-(4-nitrophenyl)adamantane CAS Name: (3S,5R)-4,4-dimethoxy-1-(4-nitrophenyl)adamantane IUPAC Name: (3S,5R)-4,4-dimethoxy-1-(4-nitrophenyl)adamantane Traditional Name: (3S,5R)-4,4-dimethoxy-1-(4-nitrophenyl)adamantane Formula: C18H23NO4 MolecularWeight: 317.37952

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Descriptors Computed from Structure

Canonical SMILES:

COC1(C2CC3CC1CC(C3)(C2)C4=CC=C(C=C4)[N+](=O)[O-])OC

Isomeric SMILES

COC1([C@@H]2CC3C[C@H]1CC(C2)(C3)C4=CC=C(C=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C18H23NO4/c1-22-18(23-2)14-7-12-8-15(18)11-17(9-12,10-14)13-3-5-16(6-4-13)19(20)21/h3-6,12,14-15H,7-11H2,1-2H3/t12?,14-,15+,17?