bis[2,4,6-tris(chloranyl)phenyl] 5-cyclohexyl-5-oxidanylidene-pentane-1,3-disulfonate

Systemtic Name: bis[2,4,6-tris(chloranyl)phenyl] 5-cyclohexyl-5-oxidanylidene-pentane-1,3-disulfonate Openeye Name: bis(2,4,6-trichlorophenyl) 5-cyclohexyl-5-oxo-pentane-1,3-disulfonate CAS Name: 5-cyclohexyl-5-oxopentane-1,3-disulfonic acid bis(2,4,6-trichlorophenyl) ester IUPAC Name: bis(2,4,6-trichlorophenyl) 5-cyclohexyl-5-oxopentane-1,3-disulfonate Traditional Name: 5-cyclohexyl-5-keto-pentane-1,3-disulfonic acid bis(2,4,6-trichlorophenyl) ester Formula: C23H22Cl6O7S2 MolecularWeight: 687.26458

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)CC(CCS(=O)(=O)OC2=C(C=C(C=C2Cl)Cl)Cl)S(=O)(=O)OC3=C(C=C(C=C3Cl)Cl)Cl

Isomeric SMILES

C1CCC(CC1)C(=O)CC(CCS(=O)(=O)OC2=C(C=C(C=C2Cl)Cl)Cl)S(=O)(=O)OC3=C(C=C(C=C3Cl)Cl)Cl

InChI

InChI=1S/C23H22Cl6O7S2/c24-14-8-17(26)22(18(27)9-14)35-37(31,32)7-6-16(12-21(30)13-4-2-1-3-5-13)38(33,34)36-23-19(28)10-15(25)11-20(23)29/h8-11,13,16H,1-7,12H2