4-[[4-(4-ethoxy-4-oxidanylidene-butoxy)-3-methanoyl-phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[4-(4-ethoxy-4-oxidanylidene-butoxy)-3-methanoyl-phenoxy]methyl]benzoic acid Openeye Name: 4-[[4-(4-ethoxy-4-oxo-butoxy)-3-formyl-phenoxy]methyl]benzoic acid CAS Name: 4-[[4-(4-ethoxy-4-oxobutoxy)-3-formylphenoxy]methyl]benzoic acid IUPAC Name: 4-[[4-(4-ethoxy-4-oxobutoxy)-3-formylphenoxy]methyl]benzoic acid Traditional Name: 4-[[4-(4-ethoxy-4-keto-butoxy)-3-formyl-phenoxy]methyl]benzoic acid Formula: C21H22O7 MolecularWeight: 386.39518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCOC1=C(C=C(C=C1)OCC2=CC=C(C=C2)C(=O)O)C=O

Isomeric SMILES

CCOC(=O)CCCOC1=C(C=C(C=C1)OCC2=CC=C(C=C2)C(=O)O)C=O

InChI

InChI=1S/C21H22O7/c1-2-26-20(23)4-3-11-27-19-10-9-18(12-17(19)13-22)28-14-15-5-7-16(8-6-15)21(24)25/h5-10,12-13H,2-4,11,14H2,1H3,(H,24,25)