sodium 2-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclooctyl]phenoxy]propanoate

Systemtic Name: sodium 2-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclooctyl]phenoxy]propanoate Openeye Name: sodium 2-[3-[2-(4,5-diphenyloxazol-2-yl)cyclooctyl]phenoxy]propanoate CAS Name: sodium 2-[3-[2-(4,5-diphenyl-2-oxazolyl)cyclooctyl]phenoxy]propanoate IUPAC Name: sodium 2-[3-[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclooctyl]phenoxy]propanoate Traditional Name: sodium 2-[3-[2-(4,5-diphenyloxazol-2-yl)cyclooctyl]phenoxy]propionate Formula: C32H32NNaO4 MolecularWeight: 517.59055

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])OC1=CC=CC(=C1)C2CCCCCCC2C3=NC(=C(O3)C4=CC=CC=C4)C5=CC=CC=C5.[Na+]

Isomeric SMILES

CC(C(=O)[O-])OC1=CC=CC(=C1)C2CCCCCCC2C3=NC(=C(O3)C4=CC=CC=C4)C5=CC=CC=C5.[Na+]

InChI

InChI=1S/C32H33NO4.Na/c1-22(32(34)35)36-26-18-12-17-25(21-26)27-19-10-2-3-11-20-28(27)31-33-29(23-13-6-4-7-14-23)30(37-31)24-15-8-5-9-16-24;/h4-9,12-18,21-22,27-28H,2-3,10-11,19-20H2,1H3,(H,34,35);/q;+1/p-1