6-ethyl-5-methyl-1-pyridin-2-yl-2-sulfanylidene-tetradecane-1-sulfonic acid

Systemtic Name: 6-ethyl-5-methyl-1-pyridin-2-yl-2-sulfanylidene-tetradecane-1-sulfonic acid Openeye Name: 6-ethyl-5-methyl-1-(2-pyridyl)-2-thioxo-tetradecane-1-sulfonic acid CAS Name: 6-ethyl-5-methyl-1-(2-pyridinyl)-2-sulfanylidene-1-tetradecanesulfonic acid IUPAC Name: 6-ethyl-5-methyl-1-pyridin-2-yl-2-sulfanylidenetetradecane-1-sulfonic acid Traditional Name: 6-ethyl-5-methyl-1-(2-pyridyl)-2-thioxo-tetradecane-1-sulfonic acid Formula: C22H37NO3S2 MolecularWeight: 427.66408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CC)C(C)CCC(=S)C(C1=CC=CC=N1)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCC(CC)C(C)CCC(=S)C(C1=CC=CC=N1)S(=O)(=O)O

InChI

InChI=1S/C22H37NO3S2/c1-4-6-7-8-9-10-13-19(5-2)18(3)15-16-21(27)22(28(24,25)26)20-14-11-12-17-23-20/h11-12,14,17-19,22H,4-10,13,15-16H2,1-3H3,(H,24,25,26)