sodium (2S)-2-methoxy-3-[4-[6-(4-phenoxyphenoxy)hex-1-ynyl]phenyl]propanoate

Systemtic Name: sodium (2S)-2-methoxy-3-[4-[6-(4-phenoxyphenoxy)hex-1-ynyl]phenyl]propanoate Openeye Name: sodium (2S)-2-methoxy-3-[4-[6-(4-phenoxyphenoxy)hex-1-ynyl]phenyl]propanoate CAS Name: sodium (2S)-2-methoxy-3-[4-[6-(4-phenoxyphenoxy)hex-1-ynyl]phenyl]propanoate IUPAC Name: sodium (2S)-2-methoxy-3-[4-[6-(4-phenoxyphenoxy)hex-1-ynyl]phenyl]propanoate Traditional Name: sodium (2S)-2-methoxy-3-[4-[6-(4-phenoxyphenoxy)hex-1-ynyl]phenyl]propionate Formula: C28H27NaO5 MolecularWeight: 466.50075

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Descriptors Computed from Structure

Canonical SMILES:

COC(CC1=CC=C(C=C1)C#CCCCCOC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)[O-].[Na+]

Isomeric SMILES

CO[C@@H](CC1=CC=C(C=C1)C#CCCCCOC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)[O-].[Na+]

InChI

InChI=1S/C28H28O5.Na/c1-31-27(28(29)30)21-23-14-12-22(13-15-23)9-5-2-3-8-20-32-24-16-18-26(19-17-24)33-25-10-6-4-7-11-25;/h4,6-7,10-19,27H,2-3,8,20-21H2,1H3,(H,29,30);/q;+1/p-1/t27-;/m0./s1