1-(6-heptylsulfanylnaphthalen-2-yl)thiolan-1-ium

Systemtic Name: 1-(6-heptylsulfanylnaphthalen-2-yl)thiolan-1-ium Openeye Name: 1-(6-heptylsulfanyl-2-naphthyl)tetrahydrothiophen-1-ium CAS Name: 1-[6-(heptylthio)-2-naphthalenyl]thiolan-1-ium IUPAC Name: 1-(6-heptylsulfanylnaphthalen-2-yl)thiolan-1-ium Traditional Name: 1-[6-(heptylthio)-2-naphthyl]tetrahydrothiophen-1-ium Formula: C21H29S2+ MolecularWeight: 345.58496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSC1=CC2=C(C=C1)C=C(C=C2)[S+]3CCCC3

Isomeric SMILES

CCCCCCCSC1=CC2=C(C=C1)C=C(C=C2)[S+]3CCCC3

InChI

InChI=1S/C21H29S2/c1-2-3-4-5-6-13-22-20-11-9-19-17-21(12-10-18(19)16-20)23-14-7-8-15-23/h9-12,16-17H,2-8,13-15H2,1H3/q+1