5-nitrospiro[1,3-benzoxathiole-2,1'-cyclohexane]

Systemtic Name: 5-nitrospiro[1,3-benzoxathiole-2,1'-cyclohexane] Openeye Name: 5-nitrospiro[1,3-benzoxathiole-2,1'-cyclohexane] CAS Name: 5-nitrospiro[1,3-benzoxathiole-2,1'-cyclohexane] IUPAC Name: 5-nitrospiro[1,3-benzoxathiole-2,1'-cyclohexane] Traditional Name: 5-nitrospiro[1,3-benzoxathiole-2,1'-cyclohexane] Formula: C12H13NO3S MolecularWeight: 251.30152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)OC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC2(CC1)OC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C12H13NO3S/c14-13(15)9-4-5-10-11(8-9)17-12(16-10)6-2-1-3-7-12/h4-5,8H,1-3,6-7H2