sodium (2S)-2-methoxy-3-[4-[6-(4-phenoxyphenoxy)hexanoyl]phenyl]propanoate

Systemtic Name: sodium (2S)-2-methoxy-3-[4-[6-(4-phenoxyphenoxy)hexanoyl]phenyl]propanoate Openeye Name: sodium (2S)-2-methoxy-3-[4-[6-(4-phenoxyphenoxy)hexanoyl]phenyl]propanoate CAS Name: sodium (2S)-2-methoxy-3-[4-[1-oxo-6-(4-phenoxyphenoxy)hexyl]phenyl]propanoate IUPAC Name: sodium (2S)-2-methoxy-3-[4-[6-(4-phenoxyphenoxy)hexanoyl]phenyl]propanoate Traditional Name: sodium (2S)-2-methoxy-3-[4-[6-(4-phenoxyphenoxy)hexanoyl]phenyl]propionate Formula: C28H29NaO6 MolecularWeight: 484.51603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30O6.Na/c1-32-27(28(30)31)20-21-11-13-22(14-12-21)26(29)10-6-3-7-19-33-23-15-17-25(18-16-23)34-24-8-4-2-5-9-24;/h2,4-5,8-9,11-18,27H,3,6-7,10,19-20H2,1H3,(H,30,31);/q;+1/p-1/t27-;/m0./s1