sodium 2-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-4-oxidanylidene-chromen-7-yl]oxyethanoate

Systemtic Name: sodium 2-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)-4-oxidanylidene-chromen-7-yl]oxyethanoate Openeye Name: sodium 2-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)-4-oxo-chromen-7-yl]oxyacetate CAS Name: sodium 2-[[2-(3,5-ditert-butyl-4-hydroxyphenyl)-4-oxo-1-benzopyran-7-yl]oxy]acetate IUPAC Name: sodium 2-[2-(3,5-ditert-butyl-4-hydroxyphenyl)-4-oxochromen-7-yl]oxyacetate Traditional Name: sodium 2-[2-(3,5-ditert-butyl-4-hydroxy-phenyl)-4-keto-chromen-7-yl]oxyacetate Formula: C25H27NaO6 MolecularWeight: 446.46805

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=CC(=O)C3=C(O2)C=C(C=C3)OCC(=O)[O-].[Na+]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C2=CC(=O)C3=C(O2)C=C(C=C3)OCC(=O)[O-].[Na+]

InChI

InChI=1S/C25H28O6.Na/c1-24(2,3)17-9-14(10-18(23(17)29)25(4,5)6)20-12-19(26)16-8-7-15(11-21(16)31-20)30-13-22(27)28;/h7-12,29H,13H2,1-6H3,(H,27,28);/q;+1/p-1