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

Systemtic Name: sodium 4-oxidanylidene-7-[7-(2-propylphenoxy)heptoxy]chromene-2-carboxylate Openeye Name: sodium 4-oxo-7-[7-(2-propylphenoxy)heptoxy]chromene-2-carboxylate CAS Name: sodium 4-oxo-7-[7-(2-propylphenoxy)heptoxy]-1-benzopyran-2-carboxylate IUPAC Name: sodium 4-oxo-7-[7-(2-propylphenoxy)heptoxy]chromene-2-carboxylate Traditional Name: sodium 4-keto-7-[7-(2-propylphenoxy)heptoxy]chromene-2-carboxylate Formula: C26H29NaO6 MolecularWeight: 460.49463

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=CC=C1OCCCCCCCOC2=CC3=C(C=C2)C(=O)C=C(O3)C(=O)[O-].[Na+]

Isomeric SMILES

CCCC1=CC=CC=C1OCCCCCCCOC2=CC3=C(C=C2)C(=O)C=C(O3)C(=O)[O-].[Na+]

InChI

InChI=1S/C26H30O6.Na/c1-2-10-19-11-6-7-12-23(19)31-16-9-5-3-4-8-15-30-20-13-14-21-22(27)18-25(26(28)29)32-24(21)17-20;/h6-7,11-14,17-18H,2-5,8-10,15-16H2,1H3,(H,28,29);/q;+1/p-1