sodium 3-[4-[(4-methoxyphenyl)methoxy]phenyl]hex-4-ynoate

Systemtic Name: sodium 3-[4-[(4-methoxyphenyl)methoxy]phenyl]hex-4-ynoate Openeye Name: sodium 3-[4-[(4-methoxyphenyl)methoxy]phenyl]hex-4-ynoate CAS Name: sodium 3-[4-[(4-methoxyphenyl)methoxy]phenyl]-4-hexynoate IUPAC Name: sodium 3-[4-[(4-methoxyphenyl)methoxy]phenyl]hex-4-ynoate Traditional Name: sodium 3-(4-p-anisyloxyphenyl)hex-4-ynoate Formula: C20H19NaO4 MolecularWeight: 346.35223

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(CC(=O)[O-])C1=CC=C(C=C1)OCC2=CC=C(C=C2)OC.[Na+]

Isomeric SMILES

CC#CC(CC(=O)[O-])C1=CC=C(C=C1)OCC2=CC=C(C=C2)OC.[Na+]

InChI

InChI=1S/C20H20O4.Na/c1-3-4-17(13-20(21)22)16-7-11-19(12-8-16)24-14-15-5-9-18(23-2)10-6-15;/h5-12,17H,13-14H2,1-2H3,(H,21,22);/q;+1/p-1