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benzenesulfonate; 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium

benzenesulfonate; 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium

Systemtic Name:benzenesulfonate; 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium
Openeye Name:benzenesulfonate; 1-(4-butoxy-1-naphthyl)tetrahydrothiophen-1-ium
CAS Name:benzenesulfonate; 1-(4-butoxy-1-naphthalenyl)thiolan-1-ium
IUPAC Name:benzenesulfonate; 1-(4-butoxynaphthalen-1-yl)thiolan-1-ium
Traditional Name:1-(4-butoxy-1-naphthyl)tetrahydrothiophen-1-ium besylate
Formula: C24H28O4S2
MolecularWeight: 444.60672
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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C2=CC=CC=C21)[S+]3CCCC3.C1=CC=C(C=C1)S(=O)(=O)[O-]


Isomeric SMILES

CCCCOC1=CC=C(C2=CC=CC=C21)[S+]3CCCC3.C1=CC=C(C=C1)S(=O)(=O)[O-]


InChI

InChI=1S/C18H23OS.C6H6O3S/c1-2-3-12-19-17-10-11-18(20-13-6-7-14-20)16-9-5-4-8-15(16)17;7-10(8,9)6-4-2-1-3-5-6/h4-5,8-11H,2-3,6-7,12-14H2,1H3;1-5H,(H,7,8,9)/q+1;/p-1


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