5-[(3-methyl-4-nitro-phenoxy)methyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[(3-methyl-4-nitro-phenoxy)methyl]thiophene-2-carboxylic acid Openeye Name: 5-[(3-methyl-4-nitro-phenoxy)methyl]thiophene-2-carboxylic acid CAS Name: 5-[(3-methyl-4-nitrophenoxy)methyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[(3-methyl-4-nitrophenoxy)methyl]thiophene-2-carboxylic acid Traditional Name: 5-[(3-methyl-4-nitro-phenoxy)methyl]-2-thenoic acid Formula: C13H11NO5S MolecularWeight: 293.29514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=CC=C(S2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=CC=C(S2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H11NO5S/c1-8-6-9(2-4-11(8)14(17)18)19-7-10-3-5-12(20-10)13(15)16/h2-6H,7H2,1H3,(H,15,16)