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

Systemtic Name: 4-dodecylbenzenesulfonate; (9-oxidanylidenexanthen-2-yl)-phenyl-iodanium Openeye Name: 4-dodecylbenzenesulfonate; (9-oxoxanthen-2-yl)-phenyl-iodonium CAS Name: 4-dodecylbenzenesulfonate; (9-oxo-2-xanthenyl)-phenyliodonium IUPAC Name: 4-dodecylbenzenesulfonate; (9-oxoxanthen-2-yl)-phenyliodanium Traditional Name: (9-ketoxanthen-2-yl)-phenyl-iodonium; 4-laurylbesylate Formula: C37H41IO5S MolecularWeight: 724.68791

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)[I+]C2=CC3=C(C=C2)OC4=CC=CC=C4C3=O

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)[I+]C2=CC3=C(C=C2)OC4=CC=CC=C4C3=O

InChI

InChI=1S/C19H12IO2.C18H30O3S/c21-19-15-8-4-5-9-17(15)22-18-11-10-14(12-16(18)19)20-13-6-2-1-3-7-13;1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21/h1-12H;13-16H,2-12H2,1H3,(H,19,20,21)/q+1;/p-1