(3R,4R)-5-nitrospiro[3,4-dihydrochromene-2,2'-adamantane]-3,4-diol

Systemtic Name: (3R,4R)-5-nitrospiro[3,4-dihydrochromene-2,2'-adamantane]-3,4-diol Openeye Name: (3'R,4'R)-5'-nitrospiro[adamantane-2,2'-chromane]-3',4'-diol CAS Name: (3R,4R)-5-nitrospiro[3,4-dihydro-2H-1-benzopyran-2,2'-adamantane]-3,4-diol IUPAC Name: (3R,4R)-5-nitrospiro[3,4-dihydrochromene-2,2'-adamantane]-3,4-diol Traditional Name: (3'R,4'R)-5'-nitrospiro[adamantane-2,2'-chroman]-3',4'-diol Formula: C18H21NO5 MolecularWeight: 331.36304

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C34C(C(C5=C(C=CC=C5O4)[N+](=O)[O-])O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)C34[C@@H]([C@@H](C5=C(C=CC=C5O4)[N+](=O)[O-])O)O

InChI

InChI=1S/C18H21NO5/c20-16-15-13(19(22)23)2-1-3-14(15)24-18(17(16)21)11-5-9-4-10(7-11)8-12(18)6-9/h1-3,9-12,16-17,20-21H,4-8H2/t9?,10?,11?,12?,16-,17-,18?/m1/s1