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

Systemtic Name: 5-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]oxy-2-(4-methylphenyl)sulfonyloxy-benzenesulfonic acid Openeye Name: 5-[2-(4-chlorophenoxy)-2-methyl-propanoyl]oxy-2-(p-tolylsulfonyloxy)benzenesulfonic acid CAS Name: 5-[2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy]-2-(4-methylphenyl)sulfonyloxybenzenesulfonic acid IUPAC Name: 5-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy-2-(4-methylphenyl)sulfonyloxybenzenesulfonic acid Traditional Name: 5-[2-(4-chlorophenoxy)-2-methyl-propanoyl]oxy-2-tosyloxy-besylic acid Formula: C23H21ClO9S2 MolecularWeight: 540.99044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)OC(=O)C(C)(C)OC3=CC=C(C=C3)Cl)S(=O)(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)OC(=O)C(C)(C)OC3=CC=C(C=C3)Cl)S(=O)(=O)O

InChI

InChI=1S/C23H21ClO9S2/c1-15-4-11-19(12-5-15)35(29,30)33-20-13-10-18(14-21(20)34(26,27)28)31-22(25)23(2,3)32-17-8-6-16(24)7-9-17/h4-14H,1-3H3,(H,26,27,28)