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

Systemtic Name: [5-(5-oxidanyl-4-oxidanylidene-3,7-diphenoxy-chromen-2-yl)-2-phenoxy-phenoxy]methyl 3-methylbutanoate Openeye Name: [5-(5-hydroxy-4-oxo-3,7-diphenoxy-chromen-2-yl)-2-phenoxy-phenoxy]methyl 3-methylbutanoate CAS Name: 3-methylbutanoic 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 3-methylbutanoate Traditional Name: 3-methylbutyric 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)CC(=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)CC(=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/c1-25(2)20-35(41)44-24-43-33-21-26(18-19-32(33)46-28-14-8-4-9-15-28)38-39(47-29-16-10-5-11-17-29)37(42)36-31(40)22-30(23-34(36)48-38)45-27-12-6-3-7-13-27/h3-19,21-23,25,40H,20,24H2,1-2H3