[5-(5-oxidanyl-4-oxidanylidene-3,7-diphenoxy-chromen-2-yl)-2-phenoxy-phenoxy]methyl 2,2-dimethylpropanoate

Systemtic Name: [5-(5-oxidanyl-4-oxidanylidene-3,7-diphenoxy-chromen-2-yl)-2-phenoxy-phenoxy]methyl 2,2-dimethylpropanoate Openeye Name: [5-(5-hydroxy-4-oxo-3,7-diphenoxy-chromen-2-yl)-2-phenoxy-phenoxy]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [5-(5-hydroxy-4-oxo-3,7-diphenoxy-1-benzopyran-2-yl)-2-phenoxyphenoxy]methyl ester IUPAC Name: [5-(5-hydroxy-4-oxo-3,7-diphenoxychromen-2-yl)-2-phenoxyphenoxy]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [5-(5-hydroxy-4-keto-3,7-diphenoxy-chromen-2-yl)-2-phenoxy-phenoxy]methyl ester Formula: C39H32O9 MolecularWeight: 644.66598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCOC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC4=CC=CC=C4)O)OC5=CC=CC=C5)OC6=CC=CC=C6

Isomeric SMILES

CC(C)(C)C(=O)OCOC1=C(C=CC(=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC4=CC=CC=C4)O)OC5=CC=CC=C5)OC6=CC=CC=C6

InChI

InChI=1S/C39H32O9/c1-39(2,3)38(42)44-24-43-32-21-25(19-20-31(32)46-27-15-9-5-10-16-27)36-37(47-28-17-11-6-12-18-28)35(41)34-30(40)22-29(23-33(34)48-36)45-26-13-7-4-8-14-26/h4-23,40H,24H2,1-3H3