[2-ethyl-2-(6-methylheptanoyloxymethyl)hexyl] 6-methylheptanoate

Systemtic Name: [2-ethyl-2-(6-methylheptanoyloxymethyl)hexyl] 6-methylheptanoate Openeye Name: [2-ethyl-2-(6-methylheptanoyloxymethyl)hexyl] 6-methylheptanoate CAS Name: 6-methylheptanoic acid [2-ethyl-2-[(6-methyl-1-oxoheptoxy)methyl]hexyl] ester IUPAC Name: [2-ethyl-2-(6-methylheptanoyloxymethyl)hexyl] 6-methylheptanoate Traditional Name: 6-methylenanthic acid [2-ethyl-2-(6-methylheptanoyloxymethyl)hexyl] ester Formula: C25H48O4 MolecularWeight: 412.64622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)(COC(=O)CCCCC(C)C)COC(=O)CCCCC(C)C

Isomeric SMILES

CCCCC(CC)(COC(=O)CCCCC(C)C)COC(=O)CCCCC(C)C

InChI

InChI=1S/C25H48O4/c1-7-9-18-25(8-2,19-28-23(26)16-12-10-14-21(3)4)20-29-24(27)17-13-11-15-22(5)6/h21-22H,7-20H2,1-6H3