[4-methyl-2-oxidanylidene-6-[(1E,3E)-4-phenylbuta-1,3-dienyl]pyridin-1-yl] propane-2-sulfonate

Systemtic Name: [4-methyl-2-oxidanylidene-6-[(1E,3E)-4-phenylbuta-1,3-dienyl]pyridin-1-yl] propane-2-sulfonate Openeye Name: [4-methyl-2-oxo-6-[(1E,3E)-4-phenylbuta-1,3-dienyl]-1-pyridyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [4-methyl-2-oxo-6-[(1E,3E)-4-phenylbuta-1,3-dienyl]pyridin-1-yl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [2-keto-4-methyl-6-[(1E,3E)-4-phenylbuta-1,3-dienyl]-1-pyridyl] ester Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO4S/c1-15(2)25(22,23)24-20-18(13-16(3)14-19(20)21)12-8-7-11-17-9-5-4-6-10-17/h4-15H,1-3H3/b11-7+,12-8+