13-[2,6-dimethyl-5-(13-oxidanyl-13-oxidanylidene-tridecyl)-1,4-dihydropyridin-3-yl]tridecanoic acid

Systemtic Name: 13-[2,6-dimethyl-5-(13-oxidanyl-13-oxidanylidene-tridecyl)-1,4-dihydropyridin-3-yl]tridecanoic acid Openeye Name: 13-[5-(13-hydroxy-13-oxo-tridecyl)-2,6-dimethyl-1,4-dihydropyridin-3-yl]tridecanoic acid CAS Name: 13-[5-(13-hydroxy-13-oxotridecyl)-2,6-dimethyl-1,4-dihydropyridin-3-yl]tridecanoic acid IUPAC Name: 13-[5-(13-hydroxy-13-oxotridecyl)-2,6-dimethyl-1,4-dihydropyridin-3-yl]tridecanoic acid Traditional Name: 13-[5-(13-hydroxy-13-keto-tridecyl)-2,6-dimethyl-1,4-dihydropyridin-3-yl]tridecanoic acid Formula: C33H59NO4 MolecularWeight: 533.82586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CC(=C(N1)C)CCCCCCCCCCCCC(=O)O)CCCCCCCCCCCCC(=O)O

Isomeric SMILES

CC1=C(CC(=C(N1)C)CCCCCCCCCCCCC(=O)O)CCCCCCCCCCCCC(=O)O

InChI

InChI=1S/C33H59NO4/c1-28-30(23-19-15-11-7-3-5-9-13-17-21-25-32(35)36)27-31(29(2)34-28)24-20-16-12-8-4-6-10-14-18-22-26-33(37)38/h34H,3-27H2,1-2H3,(H,35,36)(H,37,38)