sodium 4-oxidanylidene-5-[3-[3-(4-phenoxy-2-propyl-phenoxy)propoxy]phenyl]-1,3-thiazol-2-olate

Systemtic Name: sodium 4-oxidanylidene-5-[3-[3-(4-phenoxy-2-propyl-phenoxy)propoxy]phenyl]-1,3-thiazol-2-olate Openeye Name: sodium 4-oxo-5-[3-[3-(4-phenoxy-2-propyl-phenoxy)propoxy]phenyl]thiazol-2-olate CAS Name: sodium 4-oxo-5-[3-[3-(4-phenoxy-2-propylphenoxy)propoxy]phenyl]-2-thiazololate IUPAC Name: sodium 4-oxo-5-[3-[3-(4-phenoxy-2-propylphenoxy)propoxy]phenyl]-1,3-thiazol-2-olate Traditional Name: sodium 4-keto-5-[3-[3-(4-phenoxy-2-propyl-phenoxy)propoxy]phenyl]-2-thiazolin-2-olate Formula: C27H26NNaO5S MolecularWeight: 499.55381

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)OC2=CC=CC=C2)OCCCOC3=CC=CC(=C3)C4C(=O)N=C(S4)[O-].[Na+]

Isomeric SMILES

CCCC1=C(C=CC(=C1)OC2=CC=CC=C2)OCCCOC3=CC=CC(=C3)C4C(=O)N=C(S4)[O-].[Na+]

InChI

InChI=1S/C27H27NO5S.Na/c1-2-8-19-17-23(33-21-10-4-3-5-11-21)13-14-24(19)32-16-7-15-31-22-12-6-9-20(18-22)25-26(29)28-27(30)34-25;/h3-6,9-14,17-18,25H,2,7-8,15-16H2,1H3,(H,28,29,30);/q;+1/p-1