Molecule ID: 86290108

IUPAC Name: 1-[(2S)-4,6-dichloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl]imidazole;nitric acid

Description: The molecule is an organic nitrate salt obtained by reaction of equimolar amounts of (S)-eberconazole and nitric acid. It contains a (S)-eberconazole(1+). It is an enantiomer of a (R)-eberconazole nitrate.

SMILES: Clc1cc(Cl)c2c(c1)CCc1ccccc1[C@@H]2n1ccnc1.O=[N+]([O-])O

SELFIES: [Cl][C][=C][C][Branch1][C][Cl][=C][C][=Branch1][Ring2][=C][Ring1][#Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C@@H1][Ring1][N][N][C][=C][N][=C][Ring1][Branch1].[O][=N+1][Branch1][C][O-1][O]

InChI: InChI=1S/C18H14Cl2N2.HNO3/c19-14-9-13-6-5-12-3-1-2-4-15(12)18(17(13)16(20)10-14)22-8-7-21-11-22;2-1(3)4/h1-4,7-11,18H,5-6H2;(H,2,3,4)/t18-;/m0./s1

Molecular Properties:
- Polar Surface Area: 83.9 Ų
- LogP: nan