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

Systemtic Name: 5-[[3-(2-tert-butyl-5-methyl-phenoxy)-4-oxidanylidene-chromen-7-yl]oxymethyl]furan-2-carboxylic acid Openeye Name: 5-[[3-(2-tert-butyl-5-methyl-phenoxy)-4-oxo-chromen-7-yl]oxymethyl]furan-2-carboxylic acid CAS Name: 5-[[3-(2-tert-butyl-5-methylphenoxy)-4-oxo-1-benzopyran-7-yl]oxymethyl]-2-furancarboxylic acid IUPAC Name: 5-[[3-(2-tert-butyl-5-methylphenoxy)-4-oxochromen-7-yl]oxymethyl]furan-2-carboxylic acid Traditional Name: 5-[[3-(2-tert-butyl-5-methyl-phenoxy)-4-keto-chromen-7-yl]oxymethyl]-2-furoic acid Formula: C26H24O7 MolecularWeight: 448.46456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)(C)C)OC2=COC3=C(C2=O)C=CC(=C3)OCC4=CC=C(O4)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)(C)C)OC2=COC3=C(C2=O)C=CC(=C3)OCC4=CC=C(O4)C(=O)O

InChI

InChI=1S/C26H24O7/c1-15-5-9-19(26(2,3)4)22(11-15)33-23-14-31-21-12-16(6-8-18(21)24(23)27)30-13-17-7-10-20(32-17)25(28)29/h5-12,14H,13H2,1-4H3,(H,28,29)