5-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]oxy-2-oxidanyl-benzenesulfonic acid

Systemtic Name: 5-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]oxy-2-oxidanyl-benzenesulfonic acid Openeye Name: 5-[2-(4-chlorophenoxy)-2-methyl-propanoyl]oxy-2-hydroxy-benzenesulfonic acid CAS Name: 5-[2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy]-2-hydroxybenzenesulfonic acid IUPAC Name: 5-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy-2-hydroxybenzenesulfonic acid Traditional Name: 5-[2-(4-chlorophenoxy)-2-methyl-propanoyl]oxy-2-hydroxy-besylic acid Formula: C16H15ClO7S MolecularWeight: 386.8041

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OC1=CC(=C(C=C1)O)S(=O)(=O)O)OC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C(=O)OC1=CC(=C(C=C1)O)S(=O)(=O)O)OC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H15ClO7S/c1-16(2,24-11-5-3-10(17)4-6-11)15(19)23-12-7-8-13(18)14(9-12)25(20,21)22/h3-9,18H,1-2H3,(H,20,21,22)