sodium 2-[4-[5-oxidanyl-3-oxidanylidene-2-(3,4,5-trimethoxyphenyl)cyclopenten-1-yl]phenoxy]ethanoate

Systemtic Name: sodium 2-[4-[5-oxidanyl-3-oxidanylidene-2-(3,4,5-trimethoxyphenyl)cyclopenten-1-yl]phenoxy]ethanoate Openeye Name: sodium 2-[4-[5-hydroxy-3-oxo-2-(3,4,5-trimethoxyphenyl)cyclopenten-1-yl]phenoxy]acetate CAS Name: sodium 2-[4-[5-hydroxy-3-oxo-2-(3,4,5-trimethoxyphenyl)-1-cyclopentenyl]phenoxy]acetate IUPAC Name: sodium 2-[4-[5-hydroxy-3-oxo-2-(3,4,5-trimethoxyphenyl)cyclopenten-1-yl]phenoxy]acetate Traditional Name: sodium 2-[4-[5-hydroxy-3-keto-2-(3,4,5-trimethoxyphenyl)cyclopenten-1-yl]phenoxy]acetate Formula: C22H21NaO8 MolecularWeight: 436.38711

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C(C(CC2=O)O)C3=CC=C(C=C3)OCC(=O)[O-].[Na+]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(C(CC2=O)O)C3=CC=C(C=C3)OCC(=O)[O-].[Na+]

InChI

InChI=1S/C22H22O8.Na/c1-27-17-8-13(9-18(28-2)22(17)29-3)21-16(24)10-15(23)20(21)12-4-6-14(7-5-12)30-11-19(25)26;/h4-9,15,23H,10-11H2,1-3H3,(H,25,26);/q;+1/p-1