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

Systemtic Name: 3-[[2-(4-tert-butylphenyl)-6-chloranyl-4-oxidanylidene-chromen-3-yl]oxymethyl]benzoic acid Openeye Name: 3-[[2-(4-tert-butylphenyl)-6-chloro-4-oxo-chromen-3-yl]oxymethyl]benzoic acid CAS Name: 3-[[2-(4-tert-butylphenyl)-6-chloro-4-oxo-1-benzopyran-3-yl]oxymethyl]benzoic acid IUPAC Name: 3-[[2-(4-tert-butylphenyl)-6-chloro-4-oxochromen-3-yl]oxymethyl]benzoic acid Traditional Name: 3-[[2-(4-tert-butylphenyl)-6-chloro-4-keto-chromen-3-yl]oxymethyl]benzoic acid Formula: C27H23ClO5 MolecularWeight: 462.92152

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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=CC(=C4)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=CC(=C4)C(=O)O

InChI

InChI=1S/C27H23ClO5/c1-27(2,3)19-9-7-17(8-10-19)24-25(23(29)21-14-20(28)11-12-22(21)33-24)32-15-16-5-4-6-18(13-16)26(30)31/h4-14H,15H2,1-3H3,(H,30,31)