sodium 4-oxidanylidene-7-[3-(2-propylphenoxy)propoxy]chromene-2-carboxylate

Systemtic Name: sodium 4-oxidanylidene-7-[3-(2-propylphenoxy)propoxy]chromene-2-carboxylate Openeye Name: sodium 4-oxo-7-[3-(2-propylphenoxy)propoxy]chromene-2-carboxylate CAS Name: sodium 4-oxo-7-[3-(2-propylphenoxy)propoxy]-1-benzopyran-2-carboxylate IUPAC Name: sodium 4-oxo-7-[3-(2-propylphenoxy)propoxy]chromene-2-carboxylate Traditional Name: sodium 4-keto-7-[3-(2-propylphenoxy)propoxy]chromene-2-carboxylate Formula: C22H21NaO6 MolecularWeight: 404.38831

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=CC=C1OCCCOC2=CC3=C(C=C2)C(=O)C=C(O3)C(=O)[O-].[Na+]

Isomeric SMILES

CCCC1=CC=CC=C1OCCCOC2=CC3=C(C=C2)C(=O)C=C(O3)C(=O)[O-].[Na+]

InChI

InChI=1S/C22H22O6.Na/c1-2-6-15-7-3-4-8-19(15)27-12-5-11-26-16-9-10-17-18(23)14-21(22(24)25)28-20(17)13-16;/h3-4,7-10,13-14H,2,5-6,11-12H2,1H3,(H,24,25);/q;+1/p-1