7,7-dimethyl-2-(2,4,4-trimethylpentyl)octanoate

Systemtic Name: 7,7-dimethyl-2-(2,4,4-trimethylpentyl)octanoate Openeye Name: 7,7-dimethyl-2-(2,4,4-trimethylpentyl)octanoate CAS Name: 7,7-dimethyl-2-(2,4,4-trimethylpentyl)octanoate IUPAC Name: 7,7-dimethyl-2-(2,4,4-trimethylpentyl)octanoate Traditional Name: 7,7-dimethyl-2-(2,4,4-trimethylpentyl)caprylate Formula: C18H35O2- MolecularWeight: 283.4693

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(CCCCC(C)(C)C)C(=O)[O-])CC(C)(C)C

Isomeric SMILES

CC(CC(CCCCC(C)(C)C)C(=O)[O-])CC(C)(C)C

InChI

InChI=1S/C18H36O2/c1-14(13-18(5,6)7)12-15(16(19)20)10-8-9-11-17(2,3)4/h14-15H,8-13H2,1-7H3,(H,19,20)/p-1