bis(4-methyl-2-oxidanylidene-6-phenyl-pyridin-1-yl) butane-1,4-disulfonate

Systemtic Name: bis(4-methyl-2-oxidanylidene-6-phenyl-pyridin-1-yl) butane-1,4-disulfonate Openeye Name: bis(4-methyl-2-oxo-6-phenyl-1-pyridyl) butane-1,4-disulfonate CAS Name: butane-1,4-disulfonic acid bis(4-methyl-2-oxo-6-phenyl-1-pyridinyl) ester IUPAC Name: bis(4-methyl-2-oxo-6-phenylpyridin-1-yl) butane-1,4-disulfonate Traditional Name: butane-1,4-disulfonic acid bis(2-keto-4-methyl-6-phenyl-1-pyridyl) ester Formula: C28H28N2O8S2 MolecularWeight: 584.66052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=C1)C2=CC=CC=C2)OS(=O)(=O)CCCCS(=O)(=O)ON3C(=CC(=CC3=O)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=O)N(C(=C1)C2=CC=CC=C2)OS(=O)(=O)CCCCS(=O)(=O)ON3C(=CC(=CC3=O)C)C4=CC=CC=C4

InChI

InChI=1S/C28H28N2O8S2/c1-21-17-25(23-11-5-3-6-12-23)29(27(31)19-21)37-39(33,34)15-9-10-16-40(35,36)38-30-26(18-22(2)20-28(30)32)24-13-7-4-8-14-24/h3-8,11-14,17-20H,9-10,15-16H2,1-2H3