2-oxidanyl-4-[1-(3-phenylphenyl)-2-sulfonyl-ethoxy]benzoic acid

Systemtic Name: 2-oxidanyl-4-[1-(3-phenylphenyl)-2-sulfonyl-ethoxy]benzoic acid Openeye Name: 2-hydroxy-4-[1-(3-phenylphenyl)-2-sulfonyl-ethoxy]benzoic acid CAS Name: 2-hydroxy-4-[1-(3-phenylphenyl)-2-sulfonylethoxy]benzoic acid IUPAC Name: 2-hydroxy-4-[1-(3-phenylphenyl)-2-sulfonylethoxy]benzoic acid Traditional Name: 2-hydroxy-4-[1-(3-phenylphenyl)-2-sulfonyl-ethoxy]benzoic acid Formula: C21H16O6S MolecularWeight: 396.41314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=CC=C2)C(C=S(=O)=O)OC3=CC(=C(C=C3)C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=CC=C2)C(C=S(=O)=O)OC3=CC(=C(C=C3)C(=O)O)O

InChI

InChI=1S/C21H16O6S/c22-19-12-17(9-10-18(19)21(23)24)27-20(13-28(25)26)16-8-4-7-15(11-16)14-5-2-1-3-6-14/h1-13,20,22H,(H,23,24)