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

Systemtic Name: 2-chloranyl-4-fluoranyl-1-(sulfinoamino)benzene; ethyl 6-phenylcyclohexene-1-carboxylate Openeye Name: 2-chloro-4-fluoro-1-(sulfinoamino)benzene; ethyl 6-phenylcyclohexene-1-carboxylate CAS Name: 2-chloro-4-fluoro-1-(sulfinoamino)benzene; 6-phenyl-1-cyclohexenecarboxylic acid ethyl ester IUPAC Name: 2-chloro-4-fluoro-1-(sulfinoamino)benzene; ethyl 6-phenylcyclohexene-1-carboxylate Traditional Name: 2-chloro-4-fluoro-1-(sulfinoamino)benzene; 6-phenylcyclohexene-1-carboxylic acid ethyl ester Formula: C21H23ClFNO4S MolecularWeight: 439.928023

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CCCCC1C2=CC=CC=C2.C1=CC(=C(C=C1F)Cl)NS(=O)O

Isomeric SMILES

CCOC(=O)C1=CCCCC1C2=CC=CC=C2.C1=CC(=C(C=C1F)Cl)NS(=O)O

InChI

InChI=1S/C15H18O2.C6H5ClFNO2S/c1-2-17-15(16)14-11-7-6-10-13(14)12-8-4-3-5-9-12;7-5-3-4(8)1-2-6(5)9-12(10)11/h3-5,8-9,11,13H,2,6-7,10H2,1H3;1-3,9H,(H,10,11)