sodium [(8aS)-5-bromanyl-8a-butyl-1-chloranyl-3-fluoranyl-6-oxidanylidene-8,9-dihydro-7H-fluoren-2-yl] sulfate

Systemtic Name: sodium [(8aS)-5-bromanyl-8a-butyl-1-chloranyl-3-fluoranyl-6-oxidanylidene-8,9-dihydro-7H-fluoren-2-yl] sulfate Openeye Name: sodium [(8aS)-5-bromo-8a-butyl-1-chloro-3-fluoro-6-oxo-8,9-dihydro-7H-fluoren-2-yl] sulfate CAS Name: sodium [(8aS)-5-bromo-8a-butyl-1-chloro-3-fluoro-6-oxo-8,9-dihydro-7H-fluoren-2-yl] sulfate IUPAC Name: sodium [(8aS)-5-bromo-8a-butyl-1-chloro-3-fluoro-6-oxo-8,9-dihydro-7H-fluoren-2-yl] sulfate Traditional Name: sodium [(8aS)-5-bromo-8a-butyl-1-chloro-3-fluoro-6-keto-8,9-dihydro-7H-fluoren-2-yl] sulfate Formula: C17H16BrClFNaO5S MolecularWeight: 489.716113

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC12CCC(=O)C(=C1C3=CC(=C(C(=C3C2)Cl)OS(=O)(=O)[O-])F)Br.[Na+]

Isomeric SMILES

CCCC[C@@]12CCC(=O)C(=C1C3=CC(=C(C(=C3C2)Cl)OS(=O)(=O)[O-])F)Br.[Na+]

InChI

InChI=1S/C17H17BrClFO5S.Na/c1-2-3-5-17-6-4-12(21)14(18)13(17)9-7-11(20)16(25-26(22,23)24)15(19)10(9)8-17;/h7H,2-6,8H2,1H3,(H,22,23,24);/q;+1/p-1/t17-;/m0./s1