2-[5-[4-nitro-2-(phenylmethyl)phenoxy]sulfonylthiophen-2-yl]ethanoic acid

Systemtic Name: 2-[5-[4-nitro-2-(phenylmethyl)phenoxy]sulfonylthiophen-2-yl]ethanoic acid Openeye Name: 2-[5-(2-benzyl-4-nitro-phenoxy)sulfonyl-2-thienyl]acetic acid CAS Name: 2-[5-[4-nitro-2-(phenylmethyl)phenoxy]sulfonyl-2-thiophenyl]acetic acid IUPAC Name: 2-[5-(2-benzyl-4-nitrophenoxy)sulfonylthiophen-2-yl]acetic acid Traditional Name: 2-[5-(2-benzyl-4-nitro-phenoxy)sulfonyl-2-thienyl]acetic acid Formula: C19H15NO7S2 MolecularWeight: 433.4549

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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(S3)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C=CC(=C2)[N+](=O)[O-])OS(=O)(=O)C3=CC=C(S3)CC(=O)O

InChI

InChI=1S/C19H15NO7S2/c21-18(22)12-16-7-9-19(28-16)29(25,26)27-17-8-6-15(20(23)24)11-14(17)10-13-4-2-1-3-5-13/h1-9,11H,10,12H2,(H,21,22)