8,10-dimethyl-9-pyridin-3-yl-heptadecan-9-ol; ethanedioic acid

Systemtic Name: 8,10-dimethyl-9-pyridin-3-yl-heptadecan-9-ol; ethanedioic acid Openeye Name: 8,10-dimethyl-9-(3-pyridyl)heptadecan-9-ol; oxalic acid CAS Name: 8,10-dimethyl-9-(3-pyridinyl)-9-heptadecanol; oxalic acid IUPAC Name: 8,10-dimethyl-9-pyridin-3-ylheptadecan-9-ol; oxalic acid Traditional Name: 8,10-dimethyl-9-(3-pyridyl)heptadecan-9-ol; oxalic acid Formula: C26H45NO5 MolecularWeight: 451.6392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C)C(C1=CN=CC=C1)(C(C)CCCCCCC)O.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCCCCC(C)C(C1=CN=CC=C1)(C(C)CCCCCCC)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H43NO.C2H2O4/c1-5-7-9-11-13-16-21(3)24(26,23-18-15-19-25-20-23)22(4)17-14-12-10-8-6-2;3-1(4)2(5)6/h15,18-22,26H,5-14,16-17H2,1-4H3;(H,3,4)(H,5,6)