bis(9-oxidanylidenexanthen-2-yl)iodanium; 4-dodecylbenzenesulfonate

Systemtic Name: bis(9-oxidanylidenexanthen-2-yl)iodanium; 4-dodecylbenzenesulfonate Openeye Name: bis(9-oxoxanthen-2-yl)iodonium; 4-dodecylbenzenesulfonate CAS Name: bis(9-oxo-2-xanthenyl)iodonium; 4-dodecylbenzenesulfonate IUPAC Name: bis(9-oxoxanthen-2-yl)iodanium; 4-dodecylbenzenesulfonate Traditional Name: bis(9-ketoxanthen-2-yl)iodonium; 4-laurylbesylate Formula: C44H43IO7S MolecularWeight: 842.77749

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)[I+]C4=CC5=C(C=C4)OC6=CC=CC=C6C5=O

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)[I+]C4=CC5=C(C=C4)OC6=CC=CC=C6C5=O

InChI

InChI=1S/C26H14IO4.C18H30O3S/c28-25-17-5-1-3-7-21(17)30-23-11-9-15(13-19(23)25)27-16-10-12-24-20(14-16)26(29)18-6-2-4-8-22(18)31-24;1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21/h1-14H;13-16H,2-12H2,1H3,(H,19,20,21)/q+1;/p-1