[2-[(1E,3Z)-3-chloranyl-4-phenyl-buta-1,3-dienyl]-4-methyl-6-oxidanylidene-pyridin-1-yl] propane-2-sulfonate

Systemtic Name: [2-[(1E,3Z)-3-chloranyl-4-phenyl-buta-1,3-dienyl]-4-methyl-6-oxidanylidene-pyridin-1-yl] propane-2-sulfonate Openeye Name: [2-[(1E,3Z)-3-chloro-4-phenyl-buta-1,3-dienyl]-4-methyl-6-oxo-1-pyridyl] propane-2-sulfonate CAS Name: 2-propanesulfonic acid IUPAC Name: [2-[(1E,3Z)-3-chloro-4-phenylbuta-1,3-dienyl]-4-methyl-6-oxopyridin-1-yl] propane-2-sulfonate Traditional Name: propane-2-sulfonic acid [2-[(1E,3Z)-3-chloro-4-phenyl-buta-1,3-dienyl]-6-keto-4-methyl-1-pyridyl] ester Formula: C19H20ClNO4S MolecularWeight: 393.8844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClNO4S/c1-14(2)26(23,24)25-21-18(11-15(3)12-19(21)22)10-9-17(20)13-16-7-5-4-6-8-16/h4-14H,1-3H3/b10-9+,17-13-