chloranylbenzene; 2-oxidanyl-4-(1-sulfonylethoxy)benzoic acid

Systemtic Name: chloranylbenzene; 2-oxidanyl-4-(1-sulfonylethoxy)benzoic acid Openeye Name: chlorobenzene; 2-hydroxy-4-(1-sulfonylethoxy)benzoic acid CAS Name: chlorobenzene; 2-hydroxy-4-(1-sulfonylethoxy)benzoic acid IUPAC Name: chlorobenzene; 2-hydroxy-4-(1-sulfonylethoxy)benzoic acid Traditional Name: chlorobenzene; 2-hydroxy-4-(1-sulfonylethoxy)benzoic acid Formula: C15H13ClO6S MolecularWeight: 356.77812

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S(=O)=O)OC1=CC(=C(C=C1)C(=O)O)O.C1=CC=C(C=C1)Cl

Isomeric SMILES

CC(=S(=O)=O)OC1=CC(=C(C=C1)C(=O)O)O.C1=CC=C(C=C1)Cl

InChI

InChI=1S/C9H8O6S.C6H5Cl/c1-5(16(13)14)15-6-2-3-7(9(11)12)8(10)4-6;7-6-4-2-1-3-5-6/h2-4,10H,1H3,(H,11,12);1-5H