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benzene-1,2-disulfonate; hydron; tetrabutylazanium

benzene-1,2-disulfonate; hydron; tetrabutylazanium

Systemtic Name:benzene-1,2-disulfonate; hydron; tetrabutylazanium
Openeye Name:benzene-1,2-disulfonate; hydron; tetrabutylammonium
CAS Name:benzene-1,2-disulfonate; hydron; tetrabutylammonium
IUPAC Name:benzene-1,2-disulfonate; hydron; tetrabutylazanium
Traditional Name:benzene-1,2-disulfonate; hydron; tetrabutylammonium
Formula: C22H41NO6S2
MolecularWeight: 479.69404
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Descriptors Computed from Structure

Canonical SMILES:

[H+].CCCC[N+](CCCC)(CCCC)CCCC.C1=CC=C(C(=C1)S(=O)(=O)[O-])S(=O)(=O)[O-]


Isomeric SMILES

[H+].CCCC[N+](CCCC)(CCCC)CCCC.C1=CC=C(C(=C1)S(=O)(=O)[O-])S(=O)(=O)[O-]


InChI

InChI=1S/C16H36N.C6H6O6S2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;7-13(8,9)5-3-1-2-4-6(5)14(10,11)12/h5-16H2,1-4H3;1-4H,(H,7,8,9)(H,10,11,12)/q+1;/p-1


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