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1-benzothiophen-5-ylmethanesulfonate; tetrabutylazanium

1-benzothiophen-5-ylmethanesulfonate; tetrabutylazanium

Systemtic Name:1-benzothiophen-5-ylmethanesulfonate; tetrabutylazanium
Openeye Name:benzothiophen-5-ylmethanesulfonate; tetrabutylammonium
CAS Name:1-benzothiophen-5-ylmethanesulfonate; tetrabutylammonium
IUPAC Name:1-benzothiophen-5-ylmethanesulfonate; tetrabutylazanium
Traditional Name:benzothiophen-5-ylmethanesulfonate; tetrabutylammonium
Formula: C25H43NO3S2
MolecularWeight: 469.74382
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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCC)CCCC.C1=CC2=C(C=CS2)C=C1CS(=O)(=O)[O-]


Isomeric SMILES

CCCC[N+](CCCC)(CCCC)CCCC.C1=CC2=C(C=CS2)C=C1CS(=O)(=O)[O-]


InChI

InChI=1S/C16H36N.C9H8O3S2/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;10-14(11,12)6-7-1-2-9-8(5-7)3-4-13-9/h5-16H2,1-4H3;1-5H,6H2,(H,10,11,12)/q+1;/p-1


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