hexacosyl 3-methylbutanoate

Systemtic Name: hexacosyl 3-methylbutanoate Openeye Name: hexacosyl 3-methylbutanoate CAS Name: 3-methylbutanoic acid hexacosyl ester IUPAC Name: hexacosyl 3-methylbutanoate Traditional Name: 3-methylbutyric acid hexacosyl ester Formula: C31H62O2 MolecularWeight: 466.82278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CC(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CC(C)C

InChI

InChI=1S/C31H62O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-33-31(32)29-30(2)3/h30H,4-29H2,1-3H3