4-dodecylbenzenesulfonate; (9-oxidanylidenexanthen-2-yl)-diphenyl-sulfanium

Systemtic Name: 4-dodecylbenzenesulfonate; (9-oxidanylidenexanthen-2-yl)-diphenyl-sulfanium Openeye Name: 4-dodecylbenzenesulfonate; (9-oxoxanthen-2-yl)-diphenyl-sulfonium CAS Name: 4-dodecylbenzenesulfonate; (9-oxo-2-xanthenyl)-diphenylsulfonium IUPAC Name: 4-dodecylbenzenesulfonate; (9-oxoxanthen-2-yl)-diphenylsulfanium Traditional Name: (9-ketoxanthen-2-yl)-diphenyl-sulfonium; 4-laurylbesylate Formula: C43H46O5S2 MolecularWeight: 706.95234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC4=C(C=C3)OC5=CC=CC=C5C4=O

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC4=C(C=C3)OC5=CC=CC=C5C4=O

InChI

InChI=1S/C25H17O2S.C18H30O3S/c26-25-21-13-7-8-14-23(21)27-24-16-15-20(17-22(24)25)28(18-9-3-1-4-10-18)19-11-5-2-6-12-19;1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21/h1-17H;13-16H,2-12H2,1H3,(H,19,20,21)/q+1;/p-1