2-[1-(3,5-dinitrothiophen-2-yl)cyclohexyl]ethanoic acid

Systemtic Name: 2-[1-(3,5-dinitrothiophen-2-yl)cyclohexyl]ethanoic acid Openeye Name: 2-[1-(3,5-dinitro-2-thienyl)cyclohexyl]acetic acid CAS Name: 2-[1-(3,5-dinitro-2-thiophenyl)cyclohexyl]acetic acid IUPAC Name: 2-[1-(3,5-dinitrothiophen-2-yl)cyclohexyl]acetic acid Traditional Name: 2-[1-(3,5-dinitro-2-thienyl)cyclohexyl]acetic acid Formula: C12H14N2O6S MolecularWeight: 314.31436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CC(=O)O)C2=C(C=C(S2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)(CC(=O)O)C2=C(C=C(S2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H14N2O6S/c15-10(16)7-12(4-2-1-3-5-12)11-8(13(17)18)6-9(21-11)14(19)20/h6H,1-5,7H2,(H,15,16)