9,10-dihexylanthracene-2-sulfonate; tetrabutylazanium

Systemtic Name: 9,10-dihexylanthracene-2-sulfonate; tetrabutylazanium Openeye Name: 9,10-dihexylanthracene-2-sulfonate; tetrabutylammonium CAS Name: 9,10-dihexyl-2-anthracenesulfonate; tetrabutylammonium IUPAC Name: 9,10-dihexylanthracene-2-sulfonate; tetrabutylazanium Traditional Name: 9,10-dihexylanthracene-2-sulfonate; tetrabutylammonium Formula: C42H69NO3S MolecularWeight: 668.06716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C2C=CC(=CC2=C(C3=CC=CC=C31)CCCCCC)S(=O)(=O)[O-].CCCC[N+](CCCC)(CCCC)CCCC

Isomeric SMILES

CCCCCCC1=C2C=CC(=CC2=C(C3=CC=CC=C31)CCCCCC)S(=O)(=O)[O-].CCCC[N+](CCCC)(CCCC)CCCC

InChI

InChI=1S/C26H34O3S.C16H36N/c1-3-5-7-9-13-23-21-15-11-12-16-22(21)24(14-10-8-6-4-2)26-19-20(30(27,28)29)17-18-25(23)26;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h11-12,15-19H,3-10,13-14H2,1-2H3,(H,27,28,29);5-16H2,1-4H3/q;+1/p-1