[2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methyl-6-oxidanylidene-pyridin-1-yl] propane-2-sulfonate

Systemtic Name: [2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methyl-6-oxidanylidene-pyridin-1-yl] propane-2-sulfonate Openeye Name: [2-[(E)-2-(4-methoxyphenyl)vinyl]-4-methyl-6-oxo-1-pyridyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [2-[(E)-2-(4-methoxyphenyl)ethenyl]-4-methyl-6-oxopyridin-1-yl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [2-keto-6-[(E)-2-(4-methoxyphenyl)vinyl]-4-methyl-1-pyridyl] ester Formula: C18H21NO5S MolecularWeight: 363.42804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=C1)C=CC2=CC=C(C=C2)OC)OS(=O)(=O)C(C)C

Isomeric SMILES

CC1=CC(=O)N(C(=C1)/C=C/C2=CC=C(C=C2)OC)OS(=O)(=O)C(C)C

InChI

InChI=1S/C18H21NO5S/c1-13(2)25(21,22)24-19-16(11-14(3)12-18(19)20)8-5-15-6-9-17(23-4)10-7-15/h5-13H,1-4H3/b8-5+