sodium (2S)-5-tert-butyl-6-chloranyl-2-(trifluoromethyl)-2,7b-dihydro-1H-cyclopropa[c]chromene-1a-carboxylate

Systemtic Name: sodium (2S)-5-tert-butyl-6-chloranyl-2-(trifluoromethyl)-2,7b-dihydro-1H-cyclopropa[c]chromene-1a-carboxylate Openeye Name: sodium (2S)-5-tert-butyl-6-chloro-2-(trifluoromethyl)-2,7b-dihydro-1H-cyclopropa[c]chromene-1a-carboxylate CAS Name: sodium (2S)-5-tert-butyl-6-chloro-2-(trifluoromethyl)-2,7b-dihydro-1H-cyclopropa[c][1]benzopyran-1a-carboxylate IUPAC Name: sodium (2S)-5-tert-butyl-6-chloro-2-(trifluoromethyl)-2,7b-dihydro-1H-cyclopropa[c]chromene-1a-carboxylate Traditional Name: sodium (2S)-5-tert-butyl-6-chloro-2-(trifluoromethyl)-2,7b-dihydro-1H-cyclopropa[c]chromene-1a-carboxylate Formula: C16H15ClF3NaO3 MolecularWeight: 370.72648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C2C3CC3(C(OC2=C1)C(F)(F)F)C(=O)[O-])Cl.[Na+]

Isomeric SMILES

CC(C)(C)C1=C(C=C2C3CC3([C@H](OC2=C1)C(F)(F)F)C(=O)[O-])Cl.[Na+]

InChI

InChI=1S/C16H16ClF3O3.Na/c1-14(2,3)8-5-11-7(4-10(8)17)9-6-15(9,13(21)22)12(23-11)16(18,19)20;/h4-5,9,12H,6H2,1-3H3,(H,21,22);/q;+1/p-1/t9?,12-,15?;/m0./s1