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

Systemtic Name: 5-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]oxy-2-(4-methylphenyl)sulfonyloxy-benzenesulfonic acid; piperazine Openeye Name: 5-[2-(4-chlorophenoxy)-2-methyl-propanoyl]oxy-2-(p-tolylsulfonyloxy)benzenesulfonic acid; piperazine CAS Name: 5-[2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy]-2-(4-methylphenyl)sulfonyloxybenzenesulfonic acid; piperazine IUPAC Name: 5-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy-2-(4-methylphenyl)sulfonyloxybenzenesulfonic acid; piperazine Traditional Name: 5-[2-(4-chlorophenoxy)-2-methyl-propanoyl]oxy-2-tosyloxy-besylic acid; piperazine Formula: C50H52Cl2N2O18S4 MolecularWeight: 1168.11648

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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.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.C1CNCCN1

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.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.C1CNCCN1

InChI

InChI=1S/2C23H21ClO9S2.C4H10N2/c2*1-15-4-11-19(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;1-2-6-4-3-5-1/h2*4-14H,1-3H3,(H,26,27,28);5-6H,1-4H2