sodium; 2,4-bis(fluoranyl)-1-(sulfinoamino)benzene; cyclohexene-1-carboxylate

Systemtic Name: sodium; 2,4-bis(fluoranyl)-1-(sulfinoamino)benzene; cyclohexene-1-carboxylate Openeye Name: sodium; cyclohexene-1-carboxylate; 2,4-difluoro-1-(sulfinoamino)benzene CAS Name: sodium; 1-cyclohexenecarboxylate; 2,4-difluoro-1-(sulfinoamino)benzene IUPAC Name: sodium; cyclohexene-1-carboxylate; 2,4-difluoro-1-(sulfinoamino)benzene Traditional Name: sodium; cyclohexene-1-carboxylate; 2,4-difluoro-1-(sulfinoamino)benzene Formula: C13H14F2NNaO4S MolecularWeight: 341.306136

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)C(=O)[O-].C1=CC(=C(C=C1F)F)NS(=O)O.[Na+]

Isomeric SMILES

C1CCC(=CC1)C(=O)[O-].C1=CC(=C(C=C1F)F)NS(=O)O.[Na+]

InChI

InChI=1S/C7H10O2.C6H5F2NO2S.Na/c8-7(9)6-4-2-1-3-5-6;7-4-1-2-6(5(8)3-4)9-12(10)11;/h4H,1-3,5H2,(H,8,9);1-3,9H,(H,10,11);/q;;+1/p-1