[2-(cyclopentylidenemethyl)-4-methyl-6-oxidanylidene-pyridin-1-yl] 4-methylbenzenesulfonate

Systemtic Name: [2-(cyclopentylidenemethyl)-4-methyl-6-oxidanylidene-pyridin-1-yl] 4-methylbenzenesulfonate Openeye Name: [2-(cyclopentylidenemethyl)-4-methyl-6-oxo-1-pyridyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(cyclopentylidenemethyl)-4-methyl-6-oxo-1-pyridinyl] ester IUPAC Name: [2-(cyclopentylidenemethyl)-4-methyl-6-oxopyridin-1-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(cyclopentylidenemethyl)-6-keto-4-methyl-1-pyridyl] ester Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ON2C(=CC(=CC2=O)C)C=C3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)ON2C(=CC(=CC2=O)C)C=C3CCCC3

InChI

InChI=1S/C19H21NO4S/c1-14-7-9-18(10-8-14)25(22,23)24-20-17(11-15(2)12-19(20)21)13-16-5-3-4-6-16/h7-13H,3-6H2,1-2H3