2-chloranyl-4-fluoranyl-1-(sulfinoamino)benzene; ethyl 6-tert-butylcyclohexene-1-carboxylate

Systemtic Name: 2-chloranyl-4-fluoranyl-1-(sulfinoamino)benzene; ethyl 6-tert-butylcyclohexene-1-carboxylate Openeye Name: 2-chloro-4-fluoro-1-(sulfinoamino)benzene; ethyl 6-tert-butylcyclohexene-1-carboxylate CAS Name: 6-tert-butyl-1-cyclohexenecarboxylic acid ethyl ester; 2-chloro-4-fluoro-1-(sulfinoamino)benzene IUPAC Name: 2-chloro-4-fluoro-1-(sulfinoamino)benzene; ethyl 6-tert-butylcyclohexene-1-carboxylate Traditional Name: 6-tert-butylcyclohexene-1-carboxylic acid ethyl ester; 2-chloro-4-fluoro-1-(sulfinoamino)benzene Formula: C19H27ClFNO4S MolecularWeight: 419.938383

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CCCCC1C(C)(C)C.C1=CC(=C(C=C1F)Cl)NS(=O)O

Isomeric SMILES

CCOC(=O)C1=CCCCC1C(C)(C)C.C1=CC(=C(C=C1F)Cl)NS(=O)O

InChI

InChI=1S/C13H22O2.C6H5ClFNO2S/c1-5-15-12(14)10-8-6-7-9-11(10)13(2,3)4;7-5-3-4(8)1-2-6(5)9-12(10)11/h8,11H,5-7,9H2,1-4H3;1-3,9H,(H,10,11)