4-bromanyl-3-[4-nitro-2-(phenylmethyl)phenoxy]sulfonyl-benzoic acid

Systemtic Name: 4-bromanyl-3-[4-nitro-2-(phenylmethyl)phenoxy]sulfonyl-benzoic acid Openeye Name: 3-(2-benzyl-4-nitro-phenoxy)sulfonyl-4-bromo-benzoic acid CAS Name: 4-bromo-3-[4-nitro-2-(phenylmethyl)phenoxy]sulfonylbenzoic acid IUPAC Name: 3-(2-benzyl-4-nitrophenoxy)sulfonyl-4-bromobenzoic acid Traditional Name: 3-(2-benzyl-4-nitro-phenoxy)sulfonyl-4-bromo-benzoic acid Formula: C20H14BrNO7S MolecularWeight: 492.29666

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=C(C=CC(=C3)C(=O)O)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H14BrNO7S/c21-17-8-6-14(20(23)24)12-19(17)30(27,28)29-18-9-7-16(22(25)26)11-15(18)10-13-4-2-1-3-5-13/h1-9,11-12H,10H2,(H,23,24)