1,1'-biphenyl; 2-oxidanyl-5-(2-sulfonylethoxy)benzoic acid

Systemtic Name: 1,1'-biphenyl; 2-oxidanyl-5-(2-sulfonylethoxy)benzoic acid Openeye Name: biphenyl; 2-hydroxy-5-(2-sulfonylethoxy)benzoic acid CAS Name: 1,1'-biphenyl; 2-hydroxy-5-(2-sulfonylethoxy)benzoic acid IUPAC Name: 1,1'-biphenyl; 2-hydroxy-5-(2-sulfonylethoxy)benzoic acid Traditional Name: biphenyl; 2-hydroxy-5-(2-sulfonylethoxy)benzoic acid Formula: C21H18O6S MolecularWeight: 398.42902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=CC=C2.C1=CC(=C(C=C1OCC=S(=O)=O)C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=CC=C2.C1=CC(=C(C=C1OCC=S(=O)=O)C(=O)O)O

InChI

InChI=1S/C12H10.C9H8O6S/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;10-8-2-1-6(5-7(8)9(11)12)15-3-4-16(13)14/h1-10H;1-2,4-5,10H,3H2,(H,11,12)