2,4-bis(fluoranyl)-1-(sulfinoamino)benzene; ethyl 3-bromanylcyclohexene-1-carboxylate

Systemtic Name: 2,4-bis(fluoranyl)-1-(sulfinoamino)benzene; ethyl 3-bromanylcyclohexene-1-carboxylate Openeye Name: 2,4-difluoro-1-(sulfinoamino)benzene; ethyl 3-bromocyclohexene-1-carboxylate CAS Name: 3-bromo-1-cyclohexenecarboxylic acid ethyl ester; 2,4-difluoro-1-(sulfinoamino)benzene IUPAC Name: 2,4-difluoro-1-(sulfinoamino)benzene; ethyl 3-bromocyclohexene-1-carboxylate Traditional Name: 3-bromocyclohexene-1-carboxylic acid ethyl ester; 2,4-difluoro-1-(sulfinoamino)benzene Formula: C15H18BrF2NO4S MolecularWeight: 426.273526

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(CCC1)Br.C1=CC(=C(C=C1F)F)NS(=O)O

Isomeric SMILES

CCOC(=O)C1=CC(CCC1)Br.C1=CC(=C(C=C1F)F)NS(=O)O

InChI

InChI=1S/C9H13BrO2.C6H5F2NO2S/c1-2-12-9(11)7-4-3-5-8(10)6-7;7-4-1-2-6(5(8)3-4)9-12(10)11/h6,8H,2-5H2,1H3;1-3,9H,(H,10,11)