sodium 4,4-bis[4-(6-fluoranylquinolin-2-yl)oxyphenyl]pentanoate

Systemtic Name: sodium 4,4-bis[4-(6-fluoranylquinolin-2-yl)oxyphenyl]pentanoate Openeye Name: sodium 4,4-bis[4-[(6-fluoro-2-quinolyl)oxy]phenyl]pentanoate CAS Name: sodium 4,4-bis[4-[(6-fluoro-2-quinolinyl)oxy]phenyl]pentanoate IUPAC Name: sodium 4,4-bis[4-(6-fluoroquinolin-2-yl)oxyphenyl]pentanoate Traditional Name: sodium 4,4-bis[4-[(6-fluoro-2-quinolyl)oxy]phenyl]valerate Formula: C35H25F2N2NaO4 MolecularWeight: 598.570576

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)[O-])(C1=CC=C(C=C1)OC2=NC3=C(C=C2)C=C(C=C3)F)C4=CC=C(C=C4)OC5=NC6=C(C=C5)C=C(C=C6)F.[Na+]

Isomeric SMILES

CC(CCC(=O)[O-])(C1=CC=C(C=C1)OC2=NC3=C(C=C2)C=C(C=C3)F)C4=CC=C(C=C4)OC5=NC6=C(C=C5)C=C(C=C6)F.[Na+]

InChI

InChI=1S/C35H26F2N2O4.Na/c1-35(19-18-34(40)41,24-4-10-28(11-5-24)42-32-16-2-22-20-26(36)8-14-30(22)38-32)25-6-12-29(13-7-25)43-33-17-3-23-21-27(37)9-15-31(23)39-33;/h2-17,20-21H,18-19H2,1H3,(H,40,41);/q;+1/p-1