sodium 5-[3-(4-tert-butylphenoxy)-2-oxidanyl-propoxy]-4-oxidanylidene-chromene-2-carboxylate

Systemtic Name: sodium 5-[3-(4-tert-butylphenoxy)-2-oxidanyl-propoxy]-4-oxidanylidene-chromene-2-carboxylate Openeye Name: sodium 5-[3-(4-tert-butylphenoxy)-2-hydroxy-propoxy]-4-oxo-chromene-2-carboxylate CAS Name: sodium 5-[3-(4-tert-butylphenoxy)-2-hydroxypropoxy]-4-oxo-1-benzopyran-2-carboxylate IUPAC Name: sodium 5-[3-(4-tert-butylphenoxy)-2-hydroxypropoxy]-4-oxochromene-2-carboxylate Traditional Name: sodium 5-[3-(4-tert-butylphenoxy)-2-hydroxy-propoxy]-4-keto-chromene-2-carboxylate Formula: C23H23NaO7 MolecularWeight: 434.41429

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC(COC2=CC=CC3=C2C(=O)C=C(O3)C(=O)[O-])O.[Na+]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC(COC2=CC=CC3=C2C(=O)C=C(O3)C(=O)[O-])O.[Na+]

InChI

InChI=1S/C23H24O7.Na/c1-23(2,3)14-7-9-16(10-8-14)28-12-15(24)13-29-18-5-4-6-19-21(18)17(25)11-20(30-19)22(26)27;/h4-11,15,24H,12-13H2,1-3H3,(H,26,27);/q;+1/p-1