4-[5-cyano-4-methyl-2-oxidanyl-6-oxidanylidene-3-[(E)-prop-1-enyl]pyridin-1-yl]benzenesulfonic acid

Systemtic Name: 4-[5-cyano-4-methyl-2-oxidanyl-6-oxidanylidene-3-[(E)-prop-1-enyl]pyridin-1-yl]benzenesulfonic acid Openeye Name: 4-[5-cyano-2-hydroxy-4-methyl-6-oxo-3-[(E)-prop-1-enyl]-1-pyridyl]benzenesulfonic acid CAS Name: 4-[5-cyano-2-hydroxy-4-methyl-6-oxo-3-[(E)-prop-1-enyl]-1-pyridinyl]benzenesulfonic acid IUPAC Name: 4-[5-cyano-2-hydroxy-4-methyl-6-oxo-3-[(E)-prop-1-enyl]pyridin-1-yl]benzenesulfonic acid Traditional Name: 4-[5-cyano-2-hydroxy-6-keto-4-methyl-3-[(E)-prop-1-enyl]-1-pyridyl]besylic acid Formula: C16H14N2O5S MolecularWeight: 346.35776

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC1=C(N(C(=O)C(=C1C)C#N)C2=CC=C(C=C2)S(=O)(=O)O)O

Isomeric SMILES

C/C=C/C1=C(N(C(=O)C(=C1C)C#N)C2=CC=C(C=C2)S(=O)(=O)O)O

InChI

InChI=1S/C16H14N2O5S/c1-3-4-13-10(2)14(9-17)16(20)18(15(13)19)11-5-7-12(8-6-11)24(21,22)23/h3-8,19H,1-2H3,(H,21,22,23)/b4-3+