dodecoxymethanedithioate; 1-dodecylpyridin-1-ium

Systemtic Name: dodecoxymethanedithioate; 1-dodecylpyridin-1-ium Openeye Name: dodecoxymethanedithioate; 1-dodecylpyridin-1-ium CAS Name: dodecoxymethanedithioate; 1-dodecylpyridin-1-ium IUPAC Name: dodecoxymethanedithioate; 1-dodecylpyridin-1-ium Traditional Name: lauryloxymethanedithioate; 1-laurylpyridin-1-ium Formula: C30H55NOS2 MolecularWeight: 509.8938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+]1=CC=CC=C1.CCCCCCCCCCCCOC(=S)[S-]

Isomeric SMILES

CCCCCCCCCCCC[N+]1=CC=CC=C1.CCCCCCCCCCCCOC(=S)[S-]

InChI

InChI=1S/C17H30N.C13H26OS2/c1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;1-2-3-4-5-6-7-8-9-10-11-12-14-13(15)16/h11,13-14,16-17H,2-10,12,15H2,1H3;2-12H2,1H3,(H,15,16)/q+1;/p-1