7-decyl-2,5,8-trimethyl-1,4-dioxonane-7-carboxylate

Systemtic Name: 7-decyl-2,5,8-trimethyl-1,4-dioxonane-7-carboxylate Openeye Name: 7-decyl-2,5,8-trimethyl-1,4-dioxonane-7-carboxylate CAS Name: 7-decyl-2,5,8-trimethyl-1,4-dioxonane-7-carboxylate IUPAC Name: 7-decyl-2,5,8-trimethyl-1,4-dioxonane-7-carboxylate Traditional Name: 7-decyl-2,5,8-trimethyl-1,4-dioxonane-7-carboxylate Formula: C21H39O4- MolecularWeight: 355.53196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1(CC(OCC(OCC1C)C)C)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCC1(CC(OCC(OCC1C)C)C)C(=O)[O-]

InChI

InChI=1S/C21H40O4/c1-5-6-7-8-9-10-11-12-13-21(20(22)23)14-18(3)25-16-19(4)24-15-17(21)2/h17-19H,5-16H2,1-4H3,(H,22,23)/p-1