5-[[3-(2-tert-butyl-4-ethyl-phenoxy)-4-oxidanylidene-chromen-7-yl]oxymethyl]furan-2-carboxylic acid

Systemtic Name: 5-[[3-(2-tert-butyl-4-ethyl-phenoxy)-4-oxidanylidene-chromen-7-yl]oxymethyl]furan-2-carboxylic acid Openeye Name: 5-[[3-(2-tert-butyl-4-ethyl-phenoxy)-4-oxo-chromen-7-yl]oxymethyl]furan-2-carboxylic acid CAS Name: 5-[[3-(2-tert-butyl-4-ethylphenoxy)-4-oxo-1-benzopyran-7-yl]oxymethyl]-2-furancarboxylic acid IUPAC Name: 5-[[3-(2-tert-butyl-4-ethylphenoxy)-4-oxochromen-7-yl]oxymethyl]furan-2-carboxylic acid Traditional Name: 5-[[3-(2-tert-butyl-4-ethyl-phenoxy)-4-keto-chromen-7-yl]oxymethyl]-2-furoic acid Formula: C27H26O7 MolecularWeight: 462.49114

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3)OCC4=CC=C(O4)C(=O)O)C(C)(C)C

Isomeric SMILES

CCC1=CC(=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3)OCC4=CC=C(O4)C(=O)O)C(C)(C)C

InChI

InChI=1S/C27H26O7/c1-5-16-6-10-21(20(12-16)27(2,3)4)34-24-15-32-23-13-17(7-9-19(23)25(24)28)31-14-18-8-11-22(33-18)26(29)30/h6-13,15H,5,14H2,1-4H3,(H,29,30)