5-[[2-(4-tert-butylphenyl)-6-chloranyl-4-oxidanylidene-chromen-3-yl]oxymethyl]furan-2-carboxylic acid

Systemtic Name: 5-[[2-(4-tert-butylphenyl)-6-chloranyl-4-oxidanylidene-chromen-3-yl]oxymethyl]furan-2-carboxylic acid Openeye Name: 5-[[2-(4-tert-butylphenyl)-6-chloro-4-oxo-chromen-3-yl]oxymethyl]furan-2-carboxylic acid CAS Name: 5-[[2-(4-tert-butylphenyl)-6-chloro-4-oxo-1-benzopyran-3-yl]oxymethyl]-2-furancarboxylic acid IUPAC Name: 5-[[2-(4-tert-butylphenyl)-6-chloro-4-oxochromen-3-yl]oxymethyl]furan-2-carboxylic acid Traditional Name: 5-[[2-(4-tert-butylphenyl)-6-chloro-4-keto-chromen-3-yl]oxymethyl]-2-furoic acid Formula: C25H21ClO6 MolecularWeight: 452.88364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)OCC4=CC=C(O4)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)OCC4=CC=C(O4)C(=O)O

InChI

InChI=1S/C25H21ClO6/c1-25(2,3)15-6-4-14(5-7-15)22-23(30-13-17-9-11-20(31-17)24(28)29)21(27)18-12-16(26)8-10-19(18)32-22/h4-12H,13H2,1-3H3,(H,28,29)