1-(2-octadecylnaphthalen-1-yl)sulfanyltriacontane-2-thiol

Systemtic Name: 1-(2-octadecylnaphthalen-1-yl)sulfanyltriacontane-2-thiol Openeye Name: 1-[(2-octadecyl-1-naphthyl)sulfanyl]triacontane-2-thiol CAS Name: 1-[(2-octadecyl-1-naphthalenyl)thio]-2-triacontanethiol IUPAC Name: 1-(2-octadecylnaphthalen-1-yl)sulfanyltriacontane-2-thiol Traditional Name: 1-[(2-stearyl-1-naphthyl)thio]triacontane-2-thiol Formula: C58H104S2 MolecularWeight: 865.57636

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(CSC1=C(C=CC2=CC=CC=C21)CCCCCCCCCCCCCCCCCC)S

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(CSC1=C(C=CC2=CC=CC=C21)CCCCCCCCCCCCCCCCCC)S

InChI

InChI=1S/C58H104S2/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-49-56(59)53-60-58-55(52-51-54-47-45-46-50-57(54)58)48-43-41-39-37-35-33-31-20-18-16-14-12-10-8-6-4-2/h45-47,50-52,56,59H,3-44,48-49,53H2,1-2H3