13-[2,4-dimethyl-2-(13-oxidanyl-13-oxidanylidene-tridecyl)-3H-pyridin-3-yl]tridecanoic acid

Systemtic Name: 13-[2,4-dimethyl-2-(13-oxidanyl-13-oxidanylidene-tridecyl)-3H-pyridin-3-yl]tridecanoic acid Openeye Name: 13-[2-(13-hydroxy-13-oxo-tridecyl)-2,4-dimethyl-3H-pyridin-3-yl]tridecanoic acid CAS Name: 13-[2-(13-hydroxy-13-oxotridecyl)-2,4-dimethyl-3H-pyridin-3-yl]tridecanoic acid IUPAC Name: 13-[2-(13-hydroxy-13-oxotridecyl)-2,4-dimethyl-3H-pyridin-3-yl]tridecanoic acid Traditional Name: 13-[2-(13-hydroxy-13-keto-tridecyl)-2,4-dimethyl-3H-pyridin-3-yl]tridecanoic acid Formula: C33H59NO4 MolecularWeight: 533.82586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NC(C1CCCCCCCCCCCCC(=O)O)(C)CCCCCCCCCCCCC(=O)O

Isomeric SMILES

CC1=CC=NC(C1CCCCCCCCCCCCC(=O)O)(C)CCCCCCCCCCCCC(=O)O

InChI

InChI=1S/C33H59NO4/c1-29-26-28-34-33(2,27-22-18-14-10-6-5-9-13-17-21-25-32(37)38)30(29)23-19-15-11-7-3-4-8-12-16-20-24-31(35)36/h26,28,30H,3-25,27H2,1-2H3,(H,35,36)(H,37,38)