(3-oxidanylidene-2-pyridin-4-yl-inden-1-yl) 4-methylbenzenesulfonate

Systemtic Name: (3-oxidanylidene-2-pyridin-4-yl-inden-1-yl) 4-methylbenzenesulfonate Openeye Name: [3-oxo-2-(4-pyridyl)inden-1-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3-oxo-2-pyridin-4-yl-1-indenyl) ester IUPAC Name: (3-oxo-2-pyridin-4-ylinden-1-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-keto-2-(4-pyridyl)inden-1-yl] ester Formula: C21H15NO4S MolecularWeight: 377.4131

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=O)C3=CC=CC=C32)C4=CC=NC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=O)C3=CC=CC=C32)C4=CC=NC=C4

InChI

InChI=1S/C21H15NO4S/c1-14-6-8-16(9-7-14)27(24,25)26-21-18-5-3-2-4-17(18)20(23)19(21)15-10-12-22-13-11-15/h2-13H,1H3