sodium (2S)-2-ethoxy-3-[4-[3-(4-phenoxyphenoxy)propoxy]phenyl]propanoate

Systemtic Name: sodium (2S)-2-ethoxy-3-[4-[3-(4-phenoxyphenoxy)propoxy]phenyl]propanoate Openeye Name: sodium (2S)-2-ethoxy-3-[4-[3-(4-phenoxyphenoxy)propoxy]phenyl]propanoate CAS Name: sodium (2S)-2-ethoxy-3-[4-[3-(4-phenoxyphenoxy)propoxy]phenyl]propanoate IUPAC Name: sodium (2S)-2-ethoxy-3-[4-[3-(4-phenoxyphenoxy)propoxy]phenyl]propanoate Traditional Name: sodium (2S)-2-ethoxy-3-[4-[3-(4-phenoxyphenoxy)propoxy]phenyl]propionate Formula: C26H27NaO6 MolecularWeight: 458.47875

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)OCCCOC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)[O-].[Na+]

Isomeric SMILES

CCO[C@@H](CC1=CC=C(C=C1)OCCCOC2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)[O-].[Na+]

InChI

InChI=1S/C26H28O6.Na/c1-2-29-25(26(27)28)19-20-9-11-21(12-10-20)30-17-6-18-31-22-13-15-24(16-14-22)32-23-7-4-3-5-8-23;/h3-5,7-16,25H,2,6,17-19H2,1H3,(H,27,28);/q;+1/p-1/t25-;/m0./s1