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

Systemtic Name: 1-(6-heptylnaphthalen-2-yl)thiolan-1-ium Openeye Name: 1-(6-heptyl-2-naphthyl)tetrahydrothiophen-1-ium CAS Name: 1-(6-heptyl-2-naphthalenyl)thiolan-1-ium IUPAC Name: 1-(6-heptylnaphthalen-2-yl)thiolan-1-ium Traditional Name: 1-(6-heptyl-2-naphthyl)tetrahydrothiophen-1-ium Formula: C21H29S+ MolecularWeight: 313.51996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC2=C(C=C1)C=C(C=C2)[S+]3CCCC3

Isomeric SMILES

CCCCCCCC1=CC2=C(C=C1)C=C(C=C2)[S+]3CCCC3

InChI

InChI=1S/C21H29S/c1-2-3-4-5-6-9-18-10-11-20-17-21(13-12-19(20)16-18)22-14-7-8-15-22/h10-13,16-17H,2-9,14-15H2,1H3/q+1