5-(3-nitro-4-oxidanyl-2,5-dihydrothiophen-2-yl)pentanoic acid

Systemtic Name: 5-(3-nitro-4-oxidanyl-2,5-dihydrothiophen-2-yl)pentanoic acid Openeye Name: 5-(4-hydroxy-3-nitro-2,5-dihydrothiophen-2-yl)pentanoic acid CAS Name: 5-(4-hydroxy-3-nitro-2,5-dihydrothiophen-2-yl)pentanoic acid IUPAC Name: 5-(4-hydroxy-3-nitro-2,5-dihydrothiophen-2-yl)pentanoic acid Traditional Name: 5-(4-hydroxy-3-nitro-2,5-dihydrothiophen-2-yl)valeric acid Formula: C9H13NO5S MolecularWeight: 247.26822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(C(S1)CCCCC(=O)O)[N+](=O)[O-])O

Isomeric SMILES

C1C(=C(C(S1)CCCCC(=O)O)[N+](=O)[O-])O

InChI

InChI=1S/C9H13NO5S/c11-6-5-16-7(9(6)10(14)15)3-1-2-4-8(12)13/h7,11H,1-5H2,(H,12,13)