[(2Z)-2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-tert-butylbenzoate

Systemtic Name: [(2Z)-2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylidene]-3-oxidanylidene-1-benzofuran-6-yl] 4-tert-butylbenzoate Openeye Name: [(2Z)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylene]-3-oxo-benzofuran-6-yl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [(2Z)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylidene]-3-oxo-6-benzofuranyl] ester IUPAC Name: [(2Z)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [(2Z)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylene]-3-keto-coumaran-6-yl] ester Formula: C28H23ClO6 MolecularWeight: 490.93162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)C(=CC4=CC(=CC5=C4OCOC5)Cl)O3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)/C(=C/C4=CC(=CC5=C4OCOC5)Cl)/O3

InChI

InChI=1S/C28H23ClO6/c1-28(2,3)19-6-4-16(5-7-19)27(31)34-21-8-9-22-23(13-21)35-24(25(22)30)12-17-10-20(29)11-18-14-32-15-33-26(17)18/h4-13H,14-15H2,1-3H3/b24-12-