6-[4-(6-anthracen-9-ylcarbonyloxyhexoxy)-2,5-bis(iodanyl)phenoxy]hexyl anthracene-9-carboxylate

Systemtic Name: 6-[4-(6-anthracen-9-ylcarbonyloxyhexoxy)-2,5-bis(iodanyl)phenoxy]hexyl anthracene-9-carboxylate Openeye Name: 6-[4-[6-(anthracene-9-carbonyloxy)hexoxy]-2,5-diiodo-phenoxy]hexyl anthracene-9-carboxylate CAS Name: 9-anthracenecarboxylic acid 6-[4-[6-[9-anthracenyl(oxo)methoxy]hexoxy]-2,5-diiodophenoxy]hexyl ester IUPAC Name: 6-[4-[6-(anthracene-9-carbonyloxy)hexoxy]-2,5-diiodophenoxy]hexyl anthracene-9-carboxylate Traditional Name: anthracene-9-carboxylic acid 6-[4-[6-(anthracene-9-carbonyloxy)hexoxy]-2,5-diiodo-phenoxy]hexyl ester Formula: C48H44I2O6 MolecularWeight: 970.6683

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C(=O)OCCCCCCOC4=CC(=C(C=C4I)OCCCCCCOC(=O)C5=C6C=CC=CC6=CC7=CC=CC=C75)I

Isomeric SMILES

C1=CC=C2C(=C1)C=C3C=CC=CC3=C2C(=O)OCCCCCCOC4=CC(=C(C=C4I)OCCCCCCOC(=O)C5=C6C=CC=CC6=CC7=CC=CC=C75)I

InChI

InChI=1S/C48H44I2O6/c49-41-32-44(54-26-14-2-4-16-28-56-48(52)46-39-23-11-7-19-35(39)30-36-20-8-12-24-40(36)46)42(50)31-43(41)53-25-13-1-3-15-27-55-47(51)45-37-21-9-5-17-33(37)29-34-18-6-10-22-38(34)45/h5-12,17-24,29-32H,1-4,13-16,25-28H2