hexyl 3-anthracen-9-ylcarbonyloxy-1-[2,5-bis(iodanyl)phenoxy]-2-hexoxy-anthracene-9-carboxylate

Systemtic Name: hexyl 3-anthracen-9-ylcarbonyloxy-1-[2,5-bis(iodanyl)phenoxy]-2-hexoxy-anthracene-9-carboxylate Openeye Name: hexyl 3-(anthracene-9-carbonyloxy)-1-(2,5-diiodophenoxy)-2-hexoxy-anthracene-9-carboxylate CAS Name: 3-[9-anthracenyl(oxo)methoxy]-1-(2,5-diiodophenoxy)-2-hexoxy-9-anthracenecarboxylic acid hexyl ester IUPAC Name: hexyl 3-(anthracene-9-carbonyloxy)-1-(2,5-diiodophenoxy)-2-hexoxyanthracene-9-carboxylate Traditional Name: 3-(anthracene-9-carbonyloxy)-1-(2,5-diiodophenoxy)-2-hexoxy-anthracene-9-carboxylic acid hexyl ester Formula: C48H44I2O6 MolecularWeight: 970.6683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C2=C(C3=CC=CC=C3C=C2C=C1OC(=O)C4=C5C=CC=CC5=CC6=CC=CC=C64)C(=O)OCCCCCC)OC7=C(C=CC(=C7)I)I

Isomeric SMILES

CCCCCCOC1=C(C2=C(C3=CC=CC=C3C=C2C=C1OC(=O)C4=C5C=CC=CC5=CC6=CC=CC=C64)C(=O)OCCCCCC)OC7=C(C=CC(=C7)I)I

InChI

InChI=1S/C48H44I2O6/c1-3-5-7-15-25-53-45-41(56-48(52)43-36-20-12-9-17-31(36)27-32-18-10-13-21-37(32)43)29-34-28-33-19-11-14-22-38(33)44(47(51)54-26-16-8-6-4-2)42(34)46(45)55-40-30-35(49)23-24-39(40)50/h9-14,17-24,27-30H,3-8,15-16,25-26H2,1-2H3