(E)-3-[4-[4-nitro-2-(phenylmethyl)phenoxy]sulfonylphenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-[4-nitro-2-(phenylmethyl)phenoxy]sulfonylphenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-(2-benzyl-4-nitro-phenoxy)sulfonylphenyl]prop-2-enoic acid CAS Name: (E)-3-[4-[4-nitro-2-(phenylmethyl)phenoxy]sulfonylphenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-(2-benzyl-4-nitrophenoxy)sulfonylphenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-(2-benzyl-4-nitro-phenoxy)sulfonylphenyl]acrylic acid Formula: C22H17NO7S MolecularWeight: 439.43788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17NO7S/c24-22(25)13-8-16-6-10-20(11-7-16)31(28,29)30-21-12-9-19(23(26)27)15-18(21)14-17-4-2-1-3-5-17/h1-13,15H,14H2,(H,24,25)/b13-8+