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

Systemtic Name: 2,5-bis[[2-(4-chloranylphenoxy)-2-methyl-propanoyl]oxy]benzenesulfonic acid; piperazine Openeye Name: 2,5-bis[[2-(4-chlorophenoxy)-2-methyl-propanoyl]oxy]benzenesulfonic acid; piperazine CAS Name: 2,5-bis[2-(4-chlorophenoxy)-2-methyl-1-oxopropoxy]benzenesulfonic acid; piperazine IUPAC Name: 2,5-bis[[2-(4-chlorophenoxy)-2-methylpropanoyl]oxy]benzenesulfonic acid; piperazine Traditional Name: 2,5-bis[[2-(4-chlorophenoxy)-2-methyl-propanoyl]oxy]besylic acid; piperazine Formula: C30H34Cl2N2O9S MolecularWeight: 669.56996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OC1=CC(=C(C=C1)OC(=O)C(C)(C)OC2=CC=C(C=C2)Cl)S(=O)(=O)O)OC3=CC=C(C=C3)Cl.C1CNCCN1

Isomeric SMILES

CC(C)(C(=O)OC1=CC(=C(C=C1)OC(=O)C(C)(C)OC2=CC=C(C=C2)Cl)S(=O)(=O)O)OC3=CC=C(C=C3)Cl.C1CNCCN1

InChI

InChI=1S/C26H24Cl2O9S.C4H10N2/c1-25(2,36-18-9-5-16(27)6-10-18)23(29)34-20-13-14-21(22(15-20)38(31,32)33)35-24(30)26(3,4)37-19-11-7-17(28)8-12-19;1-2-6-4-3-5-1/h5-15H,1-4H3,(H,31,32,33);5-6H,1-4H2