16-methylheptadecanoic acid; octane

Systemtic Name: 16-methylheptadecanoic acid; octane Openeye Name: 16-methylheptadecanoic acid; octane CAS Name: 16-methylheptadecanoic acid; octane IUPAC Name: 16-methylheptadecanoic acid; octane Traditional Name: 16-methylheptadecanoic acid; n-octane Formula: C26H54O2 MolecularWeight: 398.70576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC.CC(C)CCCCCCCCCCCCCCC(=O)O

Isomeric SMILES

CCCCCCCC.CC(C)CCCCCCCCCCCCCCC(=O)O

InChI

InChI=1S/C18H36O2.C8H18/c1-17(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-18(19)20;1-3-5-7-8-6-4-2/h17H,3-16H2,1-2H3,(H,19,20);3-8H2,1-2H3