(E)-3-[4-methoxy-3-[4-nitro-2-(phenylmethyl)phenoxy]sulfonyl-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-methoxy-3-[4-nitro-2-(phenylmethyl)phenoxy]sulfonyl-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-(2-benzyl-4-nitro-phenoxy)sulfonyl-4-methoxy-phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-methoxy-3-[4-nitro-2-(phenylmethyl)phenoxy]sulfonylphenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-(2-benzyl-4-nitrophenoxy)sulfonyl-4-methoxyphenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-(2-benzyl-4-nitro-phenoxy)sulfonyl-4-methoxy-phenyl]acrylic acid Formula: C23H19NO8S MolecularWeight: 469.46386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)O)S(=O)(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)O)S(=O)(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C23H19NO8S/c1-31-21-10-7-17(8-12-23(25)26)14-22(21)33(29,30)32-20-11-9-19(24(27)28)15-18(20)13-16-5-3-2-4-6-16/h2-12,14-15H,13H2,1H3,(H,25,26)/b12-8+