5-[4-nitro-2-(phenylmethyl)phenoxy]sulfonylthiophene-3-carboxylic acid

Systemtic Name: 5-[4-nitro-2-(phenylmethyl)phenoxy]sulfonylthiophene-3-carboxylic acid Openeye Name: 5-(2-benzyl-4-nitro-phenoxy)sulfonylthiophene-3-carboxylic acid CAS Name: 5-[4-nitro-2-(phenylmethyl)phenoxy]sulfonyl-3-thiophenecarboxylic acid IUPAC Name: 5-(2-benzyl-4-nitrophenoxy)sulfonylthiophene-3-carboxylic acid Traditional Name: 5-(2-benzyl-4-nitro-phenoxy)sulfonyl-3-thenoic acid Formula: C18H13NO7S2 MolecularWeight: 419.42832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C=CC(=C2)[N+](=O)[O-])OS(=O)(=O)C3=CC(=CS3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C=CC(=C2)[N+](=O)[O-])OS(=O)(=O)C3=CC(=CS3)C(=O)O

InChI

InChI=1S/C18H13NO7S2/c20-18(21)14-10-17(27-11-14)28(24,25)26-16-7-6-15(19(22)23)9-13(16)8-12-4-2-1-3-5-12/h1-7,9-11H,8H2,(H,20,21)