[2-(tert-butyliminomethyl)-2-ethyl-butyl] 4-methylbenzenesulfonate

Systemtic Name: [2-(tert-butyliminomethyl)-2-ethyl-butyl] 4-methylbenzenesulfonate Openeye Name: [2-(tert-butyliminomethyl)-2-ethyl-butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(tert-butyliminomethyl)-2-ethylbutyl] ester IUPAC Name: [2-(tert-butyliminomethyl)-2-ethylbutyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(tert-butyliminomethyl)-2-ethyl-butyl] ester Formula: C18H29NO3S MolecularWeight: 339.49276

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(COS(=O)(=O)C1=CC=C(C=C1)C)C=NC(C)(C)C

Isomeric SMILES

CCC(CC)(COS(=O)(=O)C1=CC=C(C=C1)C)C=NC(C)(C)C

InChI

InChI=1S/C18H29NO3S/c1-7-18(8-2,13-19-17(4,5)6)14-22-23(20,21)16-11-9-15(3)10-12-16/h9-13H,7-8,14H2,1-6H3