sodium 9-fluoranyl-3-thiophen-3-yl-5,6-dihydrobenzo[c]acridine-7-carboxylate

Systemtic Name: sodium 9-fluoranyl-3-thiophen-3-yl-5,6-dihydrobenzo[c]acridine-7-carboxylate Openeye Name: sodium 9-fluoro-3-(3-thienyl)-5,6-dihydrobenzo[c]acridine-7-carboxylate CAS Name: sodium 9-fluoro-3-(3-thiophenyl)-5,6-dihydrobenzo[c]acridine-7-carboxylate IUPAC Name: sodium 9-fluoro-3-thiophen-3-yl-5,6-dihydrobenzo[c]acridine-7-carboxylate Traditional Name: sodium 9-fluoro-3-(3-thienyl)-5,6-dihydrobenz[c]acridine-7-carboxylate Formula: C22H13FNNaO2S MolecularWeight: 397.397293

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=C1C=C(C=C3)C4=CSC=C4)N=C5C=CC(=CC5=C2C(=O)[O-])F.[Na+]

Isomeric SMILES

C1CC2=C(C3=C1C=C(C=C3)C4=CSC=C4)N=C5C=CC(=CC5=C2C(=O)[O-])F.[Na+]

InChI

InChI=1S/C22H14FNO2S.Na/c23-15-3-6-19-18(10-15)20(22(25)26)17-5-2-13-9-12(14-7-8-27-11-14)1-4-16(13)21(17)24-19;/h1,3-4,6-11H,2,5H2,(H,25,26);/q;+1/p-1