(5S,7R)-3-(4-methyl-3,5-dinitro-phenyl)adamantan-1-ol

Systemtic Name: (5S,7R)-3-(4-methyl-3,5-dinitro-phenyl)adamantan-1-ol Openeye Name: (5S,7R)-3-(4-methyl-3,5-dinitro-phenyl)adamantan-1-ol CAS Name: (5S,7R)-3-(4-methyl-3,5-dinitrophenyl)-1-adamantanol IUPAC Name: (5S,7R)-3-(4-methyl-3,5-dinitrophenyl)adamantan-1-ol Traditional Name: (5S,7R)-3-(4-methyl-3,5-dinitro-phenyl)adamantan-1-ol Formula: C17H20N2O5 MolecularWeight: 332.3511

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])C23CC4CC(C2)CC(C4)(C3)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])C23C[C@H]4C[C@@H](C2)CC(C4)(C3)O)[N+](=O)[O-]

InChI

InChI=1S/C17H20N2O5/c1-10-14(18(21)22)3-13(4-15(10)19(23)24)16-5-11-2-12(6-16)8-17(20,7-11)9-16/h3-4,11-12,20H,2,5-9H2,1H3/t11-,12+,16?,17?