bis(2-cyclohexyl-4-methyl-6-oxidanylidene-pyridin-1-yl) 2,4,6-trimethylbenzene-1,3-disulfonate

Systemtic Name: bis(2-cyclohexyl-4-methyl-6-oxidanylidene-pyridin-1-yl) 2,4,6-trimethylbenzene-1,3-disulfonate Openeye Name: bis(2-cyclohexyl-4-methyl-6-oxo-1-pyridyl) 2,4,6-trimethylbenzene-1,3-disulfonate CAS Name: 2,4,6-trimethylbenzene-1,3-disulfonic acid bis(2-cyclohexyl-4-methyl-6-oxo-1-pyridinyl) ester IUPAC Name: bis(2-cyclohexyl-4-methyl-6-oxopyridin-1-yl) 2,4,6-trimethylbenzene-1,3-disulfonate Traditional Name: 2,4,6-trimethylbenzene-1,3-disulfonic acid bis(2-cyclohexyl-6-keto-4-methyl-1-pyridyl) ester Formula: C33H42N2O8S2 MolecularWeight: 658.82518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=C1)C2CCCCC2)OS(=O)(=O)C3=C(C(=C(C=C3C)C)S(=O)(=O)ON4C(=CC(=CC4=O)C)C5CCCCC5)C

Isomeric SMILES

CC1=CC(=O)N(C(=C1)C2CCCCC2)OS(=O)(=O)C3=C(C(=C(C=C3C)C)S(=O)(=O)ON4C(=CC(=CC4=O)C)C5CCCCC5)C

InChI

InChI=1S/C33H42N2O8S2/c1-21-16-28(26-12-8-6-9-13-26)34(30(36)18-21)42-44(38,39)32-23(3)20-24(4)33(25(32)5)45(40,41)43-35-29(17-22(2)19-31(35)37)27-14-10-7-11-15-27/h16-20,26-27H,6-15H2,1-5H3