3-(8-cyclopropyloctanoyloxy)-2-methyl-tridecanoic acid

Systemtic Name: 3-(8-cyclopropyloctanoyloxy)-2-methyl-tridecanoic acid Openeye Name: 3-(8-cyclopropyloctanoyloxy)-2-methyl-tridecanoic acid CAS Name: 3-(8-cyclopropyl-1-oxooctoxy)-2-methyltridecanoic acid IUPAC Name: 3-(8-cyclopropyloctanoyloxy)-2-methyltridecanoic acid Traditional Name: 3-(8-cyclopropyloctanoyloxy)-2-methyl-tridecanoic acid Formula: C25H46O4 MolecularWeight: 410.63034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C(C)C(=O)O)OC(=O)CCCCCCCC1CC1

Isomeric SMILES

CCCCCCCCCCC(C(C)C(=O)O)OC(=O)CCCCCCCC1CC1

InChI

InChI=1S/C25H46O4/c1-3-4-5-6-7-8-11-14-17-23(21(2)25(27)28)29-24(26)18-15-12-9-10-13-16-22-19-20-22/h21-23H,3-20H2,1-2H3,(H,27,28)