[7-(dicyanomethylidene)-1,2,3,4,5,6-hexahydronaphthalen-4a-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [7-(dicyanomethylidene)-1,2,3,4,5,6-hexahydronaphthalen-4a-yl]methyl 4-methylbenzenesulfonate Openeye Name: [7-(dicyanomethylene)-1,2,3,4,5,6-hexahydronaphthalen-4a-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [7-(dicyanomethylidene)-1,2,3,4,5,6-hexahydronaphthalen-4a-yl]methyl ester IUPAC Name: [7-(dicyanomethylidene)-1,2,3,4,5,6-hexahydronaphthalen-4a-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [7-(dicyanomethylene)-1,2,3,4,5,6-hexahydronaphthalen-4a-yl]methyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC23CCCCC2=CC(=C(C#N)C#N)CC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC23CCCCC2=CC(=C(C#N)C#N)CC3

InChI

InChI=1S/C21H22N2O3S/c1-16-5-7-20(8-6-16)27(24,25)26-15-21-10-3-2-4-19(21)12-17(9-11-21)18(13-22)14-23/h5-8,12H,2-4,9-11,15H2,1H3