[2-[(E)-2-(2,4-dimethoxy-3-methyl-phenyl)ethenyl]-4-methyl-6-oxidanylidene-pyridin-1-yl] 4-methylbenzenesulfonate

Systemtic Name: [2-[(E)-2-(2,4-dimethoxy-3-methyl-phenyl)ethenyl]-4-methyl-6-oxidanylidene-pyridin-1-yl] 4-methylbenzenesulfonate Openeye Name: [2-[(E)-2-(2,4-dimethoxy-3-methyl-phenyl)vinyl]-4-methyl-6-oxo-1-pyridyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[(E)-2-(2,4-dimethoxy-3-methylphenyl)ethenyl]-4-methyl-6-oxo-1-pyridinyl] ester IUPAC Name: [2-[(E)-2-(2,4-dimethoxy-3-methylphenyl)ethenyl]-4-methyl-6-oxopyridin-1-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[(E)-2-(2,4-dimethoxy-3-methyl-phenyl)vinyl]-6-keto-4-methyl-1-pyridyl] ester Formula: C24H25NO6S MolecularWeight: 455.5234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON2C(=CC(=CC2=O)C)C=CC3=C(C(=C(C=C3)OC)C)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)ON2C(=CC(=CC2=O)C)/C=C/C3=C(C(=C(C=C3)OC)C)OC

InChI

InChI=1S/C24H25NO6S/c1-16-6-11-21(12-7-16)32(27,28)31-25-20(14-17(2)15-23(25)26)10-8-19-9-13-22(29-4)18(3)24(19)30-5/h6-15H,1-5H3/b10-8+