2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]thio]nicotinic acid Formula: C21H29NO2S MolecularWeight: 359.52546

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCC(=CCCC(=CCSC1=C(C=CC=N1)C(=O)O)C)C)C

Isomeric SMILES

CC(=CCC/C(=C/CC/C(=C/CSC1=C(C=CC=N1)C(=O)O)/C)/C)C

InChI

InChI=1S/C21H29NO2S/c1-16(2)8-5-9-17(3)10-6-11-18(4)13-15-25-20-19(21(23)24)12-7-14-22-20/h7-8,10,12-14H,5-6,9,11,15H2,1-4H3,(H,23,24)/b17-10+,18-13+